(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate

C283H332N30O79 — CID 160951575

IUPAC(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate
SMILESCCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(O)cccc3[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(ccc(NC(=O)Nc4cccc5ccccc45)c3O)[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCCCOc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(C)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.CN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(CNCC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)CCCOC(=O)/C=C/c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(C(C)(C)C)cc(CN)c4C[C@H]3C[C@@H]12.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(/C=C/C(=O)NC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(CN)cc(-c5ccccc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCCC3)o2)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
InChIInChI=1S/C36H36N4O10.C32H38N4O8.C29H35N3O9.C28H33N3O8.C28H29N3O7.C28H36N2O7.C27H35N3O7.C26H33N3O7.C25H28N2O9.C24H29N3O7/c1-5-21(41)50-31-22-15(2)17-13-14-20(39-35(48)38-19-12-8-10-16-9-6-7-11-18(16)19)28(42)23(17)29(43)24(22)32(45)36(49)26(31)27(40(3)4)30(44)25(33(36)46)34(37)47;1-34(2)20-13-18(21-8-7-16(44-21)14-36-9-5-6-10-36)26(37)23-17(20)11-15-12-19-25(35(3)4)28(39)24(31(33)42)30(41)32(19,43)29(40)22(15)27(23)38;1-31(2)10-5-11-41-19(34)9-7-14-6-8-18(33)21-16(14)12-15-13-17-23(32(3)4)25(36)22(28(30)39)27(38)29(17,40)26(37)20(15)24(21)35;1-27(2,3)30-17(33)9-7-12-6-8-16(32)19-14(12)10-13-11-15-21(31(4)5)23(35)20(26(29)38)25(37)28(15,39)24(36)18(13)22(19)34;1-31(2)21-17-10-13-8-16-15(12-6-4-3-5-7-12)9-14(11-29)22(32)19(16)23(33)18(13)25(35)28(17,38)26(36)20(24(21)34)27(30)37;1-7-8-11-37-19-10-9-18(29(3)4)16-12-15-13-17-23(30(5)6)25(33)20(14(2)31)26(34)28(17,36)27(35)21(15)24(32)22(16)19;1-26(2,3)11-29-10-12-6-7-16(31)18-14(12)8-13-9-15-20(30(4)5)22(33)19(25(28)36)24(35)27(15,37)23(34)17(13)21(18)32;1-25(2,3)14-8-11(9-27)12-6-10-7-13-18(29(4)5)21(32)17(24(28)35)23(34)26(13,36)22(33)15(10)20(31)16(12)19(14)30;1-5-12(29)36-21-13-9(2)10-7-6-8-11(28)14(10)19(30)15(13)22(32)25(35)17(21)18(27(3)4)20(31)16(23(25)33)24(26)34;1-26(2)9-10-5-6-14(28)16-12(10)7-11-8-13-18(27(3)4)20(30)17(23(25)33)22(32)24(13,34)21(31)15(11)19(16)29/h6-15,22,26-27,31,42-43,46,49H,5H2,1-4H3,(H2,37,47)(H2,38,39,48);7-8,13,15,19,25,37-38,41,43H,5-6,9-12,14H2,1-4H3,(H2,33,42);6-9,15,17,23,33,35,38,40H,5,10-13H2,1-4H3,(H2,30,39);6-9,13,15,21,32,34,37,39H,10-11H2,1-5H3,(H2,29,38)(H,30,33);3-7,9,13,17,21,32-33,36,38H,8,10-11,29H2,1-2H3,(H2,30,37);9-10,15,17,23,32,34,36H,7-8,11-13H2,1-6H3;6-7,13,15,20,29,31-32,35,37H,8-11H2,1-5H3,(H2,28,36);8,10,13,18,30-31,34,36H,6-7,9,27H2,1-5H3,(H2,28,35);6-9,13,17-18,21,28,30,33,35H,5H2,1-4H3,(H2,26,34);5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33)/b;;2*9-7+;;;;;;/t15-,22+,26+,27-,31-,36-;15-,19-,25-,32-;15-,17-,23-,29-;13-,15-,21-,28-;13-,17-,21+,28-;15-,17-,23-,28+;13-,15-,20?,27-;10-,13-,18-,26-;9-,13+,17+,18-,21-,25-;11-,13-,18+,24-/m0000000000/s1
InChIKeySTNYPDKVSHVTAL-MOSCNLGUSA-N
MW5417.90 g/mol
LogP12.50
Rot. Bonds51

About (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate

(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate (PubChem CID 160951575) has the molecular formula C283H332N30O79 and a molecular weight of 5417.90 g/mol. Its IUPAC name is (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate.

Molecular Properties

Compound Name(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate
PubChem CID160951575
Molecular FormulaC283H332N30O79
Molecular Weight5417.90 g/mol
Exact Mass5414.29
IUPAC Name(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate
SMILESCCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(O)cccc3[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(ccc(NC(=O)Nc4cccc5ccccc45)c3O)[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCCCOc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(C)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.CN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(CNCC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)CCCOC(=O)/C=C/c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(C(C)(C)C)cc(CN)c4C[C@H]3C[C@@H]12.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(/C=C/C(=O)NC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(CN)cc(-c5ccccc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCCC3)o2)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O
InChIInChI=1S/C36H36N4O10.C32H38N4O8.C29H35N3O9.C28H33N3O8.C28H29N3O7.C28H36N2O7.C27H35N3O7.C26H33N3O7.C25H28N2O9.C24H29N3O7/c1-5-21(41)50-31-22-15(2)17-13-14-20(39-35(48)38-19-12-8-10-16-9-6-7-11-18(16)19)28(42)23(17)29(43)24(22)32(45)36(49)26(31)27(40(3)4)30(44)25(33(36)46)34(37)47;1-34(2)20-13-18(21-8-7-16(44-21)14-36-9-5-6-10-36)26(37)23-17(20)11-15-12-19-25(35(3)4)28(39)24(31(33)42)30(41)32(19,43)29(40)22(15)27(23)38;1-31(2)10-5-11-41-19(34)9-7-14-6-8-18(33)21-16(14)12-15-13-17-23(32(3)4)25(36)22(28(30)39)27(38)29(17,40)26(37)20(15)24(21)35;1-27(2,3)30-17(33)9-7-12-6-8-16(32)19-14(12)10-13-11-15-21(31(4)5)23(35)20(26(29)38)25(37)28(15,39)24(36)18(13)22(19)34;1-31(2)21-17-10-13-8-16-15(12-6-4-3-5-7-12)9-14(11-29)22(32)19(16)23(33)18(13)25(35)28(17,38)26(36)20(24(21)34)27(30)37;1-7-8-11-37-19-10-9-18(29(3)4)16-12-15-13-17-23(30(5)6)25(33)20(14(2)31)26(34)28(17,36)27(35)21(15)24(32)22(16)19;1-26(2,3)11-29-10-12-6-7-16(31)18-14(12)8-13-9-15-20(30(4)5)22(33)19(25(28)36)24(35)27(15,37)23(34)17(13)21(18)32;1-25(2,3)14-8-11(9-27)12-6-10-7-13-18(29(4)5)21(32)17(24(28)35)23(34)26(13,36)22(33)15(10)20(31)16(12)19(14)30;1-5-12(29)36-21-13-9(2)10-7-6-8-11(28)14(10)19(30)15(13)22(32)25(35)17(21)18(27(3)4)20(31)16(23(25)33)24(26)34;1-26(2)9-10-5-6-14(28)16-12(10)7-11-8-13-18(27(3)4)20(30)17(23(25)33)22(32)24(13,34)21(31)15(11)19(16)29/h6-15,22,26-27,31,42-43,46,49H,5H2,1-4H3,(H2,37,47)(H2,38,39,48);7-8,13,15,19,25,37-38,41,43H,5-6,9-12,14H2,1-4H3,(H2,33,42);6-9,15,17,23,33,35,38,40H,5,10-13H2,1-4H3,(H2,30,39);6-9,13,15,21,32,34,37,39H,10-11H2,1-5H3,(H2,29,38)(H,30,33);3-7,9,13,17,21,32-33,36,38H,8,10-11,29H2,1-2H3,(H2,30,37);9-10,15,17,23,32,34,36H,7-8,11-13H2,1-6H3;6-7,13,15,20,29,31-32,35,37H,8-11H2,1-5H3,(H2,28,36);8,10,13,18,30-31,34,36H,6-7,9,27H2,1-5H3,(H2,28,35);6-9,13,17-18,21,28,30,33,35H,5H2,1-4H3,(H2,26,34);5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33)/b;;2*9-7+;;;;;;/t15-,22+,26+,27-,31-,36-;15-,19-,25-,32-;15-,17-,23-,29-;13-,15-,21-,28-;13-,17-,21+,28-;15-,17-,23-,28+;13-,15-,20?,27-;10-,13-,18-,26-;9-,13+,17+,18-,21-,25-;11-,13-,18+,24-/m0000000000/s1
InChIKeySTNYPDKVSHVTAL-MOSCNLGUSA-N
XLogP12.50
TPSA1819.42 Ų
H-Bond Donors54
H-Bond Acceptors97
Rotatable Bonds51
Heavy Atoms392
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005417.90
LogP ≤ 512.50
H-Bond Donors ≤ 554
H-Bond Acceptors ≤ 1097

Analyze (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate with MolForge

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Related Compounds

(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 158695203
(4R,4aS,5aR,6S,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,6S,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5R,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-5-(2-oxobutyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 158358314
(4S,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-pentyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,5S,6R,12aR)-9-tert-butyl-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4S,12aR)-7-[(Z)-2-chlorohex-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-(trifluoromethyl)phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[2-(1-hydroxycyclohexyl)ethynyl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 158469377
(4S,4aS,5aR,12aR)-9-(3-acetamidophenyl)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-(3-acetamidophenyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[3-[(benzylamino)methyl]phenyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-N-tert-butyl-4-(dimethylamino)-7-[3-(dimethylamino)propyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 159756569
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-(morpholin-4-ylmethyl)furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 54740547
(4S,4aR,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 137475964
(4S,4aS,5aR,12aR)-9-(benzoylcarbamoylamino)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-(naphthalen-1-ylcarbamothioylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-9-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-(2-phenylethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 161254537
(4S,4aS,5aR,12aR)-7-[3-(aminomethyl)-4-methoxyphenyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-9-tert-butyl-4-(dimethylamino)-7-[3-(dimethylamino)prop-1-ynyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-7-[4-(cyclopropanecarbonylamino)phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4-methoxyphenyl) N-[4-(8-carbamoyl-4,5,7-trihydroxy-6,9-dioxo-6a,10,10a,11,11a,12-hexahydrotetracen-1-yl)phenyl]carbamate;bis(N-methylmethanamine);molecular hydrogen;hydrate
CID 160694622
[(4aR,5S,5aR,6R,12aR)-2-carbamoyl-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate
CID 58627620
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aR,5S,5aR,6R,12aR)-9-[[4-(chloromethyl)-2-(trifluoromethyl)phenyl]carbamoylamino]-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-9-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-9-(naphthalen-1-ylcarbamothioylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;2-bromoethyl N-[(5R,5aR,6S,6aR,7S,10aR)-9-carbamoyl-7-(dimethylamino)-1,6,10,10a,12-pentahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamate;(4S,5S,6R)-9-(tert-butylcarbamoylamino)-4-(dimethylamino)-3,5,10,11-tetrahydroxy-6-methyl-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
CID 159831336
(4aS,5aR,12aR)-7-[4-[(benzylamino)methyl]thiophen-2-yl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[5-[(tert-butylamino)methyl]furan-2-yl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
CID 161332241
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrate
CID 174862024

Frequently Asked Questions

What is the IUPAC name of (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate?
The IUPAC name of (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate (CID 160951575) is (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate.
What is the SMILES notation for (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate?
The canonical SMILES for (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate is CCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(O)cccc3[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCC(=O)O[C@H]1[C@H]2C(=C(O)c3c(ccc(NC(=O)Nc4cccc5ccccc45)c3O)[C@@H]2C)C(=O)[C@]2(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@H]12.CCCCOc1ccc(N(C)C)c2c1C(O)=C1C(=O)[C@]3(O)C(O)=C(C(C)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2.CN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(CNCC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)CCCOC(=O)/C=C/c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(C(C)(C)C)cc(CN)c4C[C@H]3C[C@@H]12.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(/C=C/C(=O)NC(C)(C)C)c4C[C@H]3C[C@@H]12.CN(C)[C@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)c(CN)cc(-c5ccccc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCCC3)o2)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]3(O)C(=O)C1=C2O.
What is the InChIKey of (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate?
The InChIKey is STNYPDKVSHVTAL-MOSCNLGUSA-N. The full InChI is InChI=1S/C36H36N4O10.C32H38N4O8.C29H35N3O9.C28H33N3O8.C28H29N3O7.C28H36N2O7.C27H35N3O7.C26H33N3O7.C25H28N2O9.C24H29N3O7/c1-5-21(41)50-31-22-15(2)17-13-14-20(39-35(48)38-19-12-8-10-16-9-6-7-11-18(16)19)28(42)23(17)29(43)24(22)32(45)36(49)26(31)27(40(3)4)30(44)25(33(36)46)34(37)47;1-34(2)20-13-18(21-8-7-16(44-21)14-36-9-5-6-10-36)26(37)23-17(20)11-15-12-19-25(35(3)4)28(39)24(31(33)42)30(41)32(19,43)29(40)22(15)27(23)38;1-31(2)10-5-11-41-19(34)9-7-14-6-8-18(33)21-16(14)12-15-13-17-23(32(3)4)25(36)22(28(30)39)27(38)29(17,40)26(37)20(15)24(21)35;1-27(2,3)30-17(33)9-7-12-6-8-16(32)19-14(12)10-13-11-15-21(31(4)5)23(35)20(26(29)38)25(37)28(15,39)24(36)18(13)22(19)34;1-31(2)21-17-10-13-8-16-15(12-6-4-3-5-7-12)9-14(11-29)22(32)19(16)23(33)18(13)25(35)28(17,38)26(36)20(24(21)34)27(30)37;1-7-8-11-37-19-10-9-18(29(3)4)16-12-15-13-17-23(30(5)6)25(33)20(14(2)31)26(34)28(17,36)27(35)21(15)24(32)22(16)19;1-26(2,3)11-29-10-12-6-7-16(31)18-14(12)8-13-9-15-20(30(4)5)22(33)19(25(28)36)24(35)27(15,37)23(34)17(13)21(18)32;1-25(2,3)14-8-11(9-27)12-6-10-7-13-18(29(4)5)21(32)17(24(28)35)23(34)26(13,36)22(33)15(10)20(31)16(12)19(14)30;1-5-12(29)36-21-13-9(2)10-7-6-8-11(28)14(10)19(30)15(13)22(32)25(35)17(21)18(27(3)4)20(31)16(23(25)33)24(26)34;1-26(2)9-10-5-6-14(28)16-12(10)7-11-8-13-18(27(3)4)20(30)17(23(25)33)22(32)24(13,34)21(31)15(11)19(16)29/h6-15,22,26-27,31,42-43,46,49H,5H2,1-4H3,(H2,37,47)(H2,38,39,48);7-8,13,15,19,25,37-38,41,43H,5-6,9-12,14H2,1-4H3,(H2,33,42);6-9,15,17,23,33,35,38,40H,5,10-13H2,1-4H3,(H2,30,39);6-9,13,15,21,32,34,37,39H,10-11H2,1-5H3,(H2,29,38)(H,30,33);3-7,9,13,17,21,32-33,36,38H,8,10-11,29H2,1-2H3,(H2,30,37);9-10,15,17,23,32,34,36H,7-8,11-13H2,1-6H3;6-7,13,15,20,29,31-32,35,37H,8-11H2,1-5H3,(H2,28,36);8,10,13,18,30-31,34,36H,6-7,9,27H2,1-5H3,(H2,28,35);6-9,13,17-18,21,28,30,33,35H,5H2,1-4H3,(H2,26,34);5-6,11,13,18,28-29,32,34H,7-9H2,1-4H3,(H2,25,33)/b;;2*9-7+;;;;;;/t15-,22+,26+,27-,31-,36-;15-,19-,25-,32-;15-,17-,23-,29-;13-,15-,21-,28-;13-,17-,21+,28-;15-,17-,23-,28+;13-,15-,20?,27-;10-,13-,18-,26-;9-,13+,17+,18-,21-,25-;11-,13-,18+,24-/m0000000000/s1.
What are the key properties of (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate?
(1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate has a molecular weight of 5417.90 g/mol, XLogP of 12.50, 51 rotatable bonds, 54 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4aR,11aR,12aS)-3-acetyl-7-butoxy-1,10-bis(dimethylamino)-4,4a,6-trihydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione;(4S,4aS,5aR,12aR)-7-(aminomethyl)-9-tert-butyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4R,4aS,5aR,12aR)-9-(aminomethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-phenyl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-7-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;[(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-9-(naphthalen-1-ylcarbamoylamino)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate;(4R,4aS,5aR,12aR)-4-(dimethylamino)-7-[(dimethylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;3-(dimethylamino)propyl (E)-3-[(6aR,10S,10aS,11aR)-8-carbamoyl-10-(dimethylamino)-4,5,6a,7-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]prop-2-enoate is sourced from PubChem (CID 160951575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).