(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C119H134F3N15O33 — CID 160957551

IUPAC(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCC(=O)OCC(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1.CCC(NCc1cc(N(C)C)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)[C@@H]3C[C@@H]1C2)C(F)(F)F.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccncc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCN(CCO)CC3)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/C34H43N5O9.C31H31N3O10.C28H35F3N4O7.C26H25N3O7/c1-36(2)22-15-20(23-6-5-18(48-23)16-39-9-7-38(8-10-39)11-12-40)28(41)25-19(22)13-17-14-21-27(37(3)4)30(43)26(33(35)46)32(45)34(21,47)31(44)24(17)29(25)42;1-13(35)44-12-21(37)33-16-6-4-14(5-7-16)17-8-9-20(36)23-18(17)10-15-11-19-25(34(2)3)27(39)24(30(32)42)29(41)31(19,43)28(40)22(15)26(23)38;1-6-16(28(29,30)31)33-10-12-9-15(34(2)3)13-7-11-8-14-20(35(4)5)23(38)19(26(32)41)25(40)27(14,42)24(39)17(11)22(37)18(13)21(12)36;1-29(2)20-15-10-12-9-14-13(11-5-7-28-8-6-11)3-4-16(30)18(14)21(31)17(12)23(33)26(15,36)24(34)19(22(20)32)25(27)35/h5-6,15,17,21,27,40-42,45,47H,7-14,16H2,1-4H3,(H2,35,46);4-9,15,19,25,36,38,41,43H,10-12H2,1-3H3,(H2,32,42)(H,33,37);9,11,14,16,20,33,36-37,40,42H,6-8,10H2,1-5H3,(H2,32,41);3-8,12,15,20,30-31,34,36H,9-10H2,1-2H3,(H2,27,35)/t17-,21-,27-,34-;15-,19-,25-,31-;11-,14-,16?,20?,27-;12-,15-,20-,26-/m0000/s1
InChIKeyQLVYGHKURAPIFB-YOKNFLGTSA-N
MW2359.45 g/mol
LogP4.02
Rot. Bonds24

About (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 160957551) has the molecular formula C119H134F3N15O33 and a molecular weight of 2359.45 g/mol. Its IUPAC name is (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

Compound Name(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID160957551
Molecular FormulaC119H134F3N15O33
Molecular Weight2359.45 g/mol
Exact Mass2357.92
IUPAC Name(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCC(=O)OCC(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1.CCC(NCc1cc(N(C)C)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)[C@@H]3C[C@@H]1C2)C(F)(F)F.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccncc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCN(CCO)CC3)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/C34H43N5O9.C31H31N3O10.C28H35F3N4O7.C26H25N3O7/c1-36(2)22-15-20(23-6-5-18(48-23)16-39-9-7-38(8-10-39)11-12-40)28(41)25-19(22)13-17-14-21-27(37(3)4)30(43)26(33(35)46)32(45)34(21,47)31(44)24(17)29(25)42;1-13(35)44-12-21(37)33-16-6-4-14(5-7-16)17-8-9-20(36)23-18(17)10-15-11-19-25(34(2)3)27(39)24(30(32)42)29(41)31(19,43)28(40)22(15)26(23)38;1-6-16(28(29,30)31)33-10-12-9-15(34(2)3)13-7-11-8-14-20(35(4)5)23(38)19(26(32)41)25(40)27(14,42)24(39)17(11)22(37)18(13)21(12)36;1-29(2)20-15-10-12-9-14-13(11-5-7-28-8-6-11)3-4-16(30)18(14)21(31)17(12)23(33)26(15,36)24(34)19(22(20)32)25(27)35/h5-6,15,17,21,27,40-42,45,47H,7-14,16H2,1-4H3,(H2,35,46);4-9,15,19,25,36,38,41,43H,10-12H2,1-3H3,(H2,32,42)(H,33,37);9,11,14,16,20,33,36-37,40,42H,6-8,10H2,1-5H3,(H2,32,41);3-8,12,15,20,30-31,34,36H,9-10H2,1-2H3,(H2,27,35)/t17-,21-,27-,34-;15-,19-,25-,31-;11-,14-,16?,20?,27-;12-,15-,20-,26-/m0000/s1
InChIKeyQLVYGHKURAPIFB-YOKNFLGTSA-N
XLogP4.02
TPSA772.21 Ų
H-Bond Donors23
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.45
LogP ≤ 54.02
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The IUPAC name of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 160957551) is (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.
What is the SMILES notation for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The canonical SMILES for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CC(=O)OCC(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4[C@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1.CCC(NCc1cc(N(C)C)c2c(c1O)C(O)=C1C(=O)[C@]3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)[C@@H]3C[C@@H]1C2)C(F)(F)F.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccncc5)c4C[C@H]3C[C@@H]12.CN(C)c1cc(-c2ccc(CN3CCN(CCO)CC3)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 (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The InChIKey is QLVYGHKURAPIFB-YOKNFLGTSA-N. The full InChI is InChI=1S/C34H43N5O9.C31H31N3O10.C28H35F3N4O7.C26H25N3O7/c1-36(2)22-15-20(23-6-5-18(48-23)16-39-9-7-38(8-10-39)11-12-40)28(41)25-19(22)13-17-14-21-27(37(3)4)30(43)26(33(35)46)32(45)34(21,47)31(44)24(17)29(25)42;1-13(35)44-12-21(37)33-16-6-4-14(5-7-16)17-8-9-20(36)23-18(17)10-15-11-19-25(34(2)3)27(39)24(30(32)42)29(41)31(19,43)28(40)22(15)26(23)38;1-6-16(28(29,30)31)33-10-12-9-15(34(2)3)13-7-11-8-14-20(35(4)5)23(38)19(26(32)41)25(40)27(14,42)24(39)17(11)22(37)18(13)21(12)36;1-29(2)20-15-10-12-9-14-13(11-5-7-28-8-6-11)3-4-16(30)18(14)21(31)17(12)23(33)26(15,36)24(34)19(22(20)32)25(27)35/h5-6,15,17,21,27,40-42,45,47H,7-14,16H2,1-4H3,(H2,35,46);4-9,15,19,25,36,38,41,43H,10-12H2,1-3H3,(H2,32,42)(H,33,37);9,11,14,16,20,33,36-37,40,42H,6-8,10H2,1-5H3,(H2,32,41);3-8,12,15,20,30-31,34,36H,9-10H2,1-2H3,(H2,27,35)/t17-,21-,27-,34-;15-,19-,25-,31-;11-,14-,16?,20?,27-;12-,15-,20-,26-/m0000/s1.
What are the key properties of (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
(4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 2359.45 g/mol, XLogP of 4.02, 24 rotatable bonds, 23 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(1,1,1-trifluorobutan-2-ylamino)methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-9-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]furan-2-yl]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;[2-[4-[(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]anilino]-2-oxoethyl] acetate;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-pyridin-4-yl-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 160957551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).