N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

C127H130F3N15O35S — CID 159281769

IUPACN-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)CN6CCCCC6)cc5)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(-c5ccc(NC(=O)C6CCCN6C(=O)C(F)(F)F)cc5)c4C[C@H]3C[C@@H]12.COc1ccncc1-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.Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1
InChIInChI=1S/C34H33F3N4O9.C34H38N4O8.C32H32N4O10S.C27H27N3O8/c1-40(2)25-19-13-15-12-18-17(14-5-7-16(8-6-14)39-31(48)20-4-3-11-41(20)32(49)34(35,36)37)9-10-21(42)23(18)26(43)22(15)28(45)33(19,50)29(46)24(27(25)44)30(38)47;1-37(2)28-22-15-18-14-21-20(17-6-8-19(9-7-17)36-24(40)16-38-12-4-3-5-13-38)10-11-23(39)26(21)29(41)25(18)31(43)34(22,46)32(44)27(30(28)42)33(35)45;1-13-28(14(2)46-34-13)47(44,45)35-17-7-5-15(6-8-17)18-9-10-21(37)23-19(18)11-16-12-20-25(36(3)4)27(39)24(31(33)42)30(41)32(20,43)29(40)22(16)26(23)38;1-30(2)21-15-9-11-8-13-12(14-10-29-7-6-17(14)38-3)4-5-16(31)19(13)22(32)18(11)24(34)27(15,37)25(35)20(23(21)33)26(28)36/h5-10,15,19-20,25,42-43,46,50H,3-4,11-13H2,1-2H3,(H2,38,47)(H,39,48);6-11,18,22,28,39,41,44,46H,3-5,12-16H2,1-2H3,(H2,35,45)(H,36,40);5-10,16,20,25,35,37-38,41,43H,11-12H2,1-4H3,(H2,33,42);4-7,10-11,15,21,31-32,35,37H,8-9H2,1-3H3,(H2,28,36)/t15-,19-,20?,25-,33-;18-,22-,28?,34-;16-,20-,25?,32-;11-,15-,21-,27-/m0000/s1
InChIKeyXGLMWACNVVAEBT-SZUVLOPUSA-N
MW2515.57 g/mol
LogP7.25
Rot. Bonds21

About N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (PubChem CID 159281769) has the molecular formula C127H130F3N15O35S and a molecular weight of 2515.57 g/mol. Its IUPAC name is N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.

Molecular Properties

Compound NameN-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
PubChem CID159281769
Molecular FormulaC127H130F3N15O35S
Molecular Weight2515.57 g/mol
Exact Mass2513.85
IUPAC NameN-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)CN6CCCCC6)cc5)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(-c5ccc(NC(=O)C6CCCN6C(=O)C(F)(F)F)cc5)c4C[C@H]3C[C@@H]12.COc1ccncc1-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.Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1
InChIInChI=1S/C34H33F3N4O9.C34H38N4O8.C32H32N4O10S.C27H27N3O8/c1-40(2)25-19-13-15-12-18-17(14-5-7-16(8-6-14)39-31(48)20-4-3-11-41(20)32(49)34(35,36)37)9-10-21(42)23(18)26(43)22(15)28(45)33(19,50)29(46)24(27(25)44)30(38)47;1-37(2)28-22-15-18-14-21-20(17-6-8-19(9-7-17)36-24(40)16-38-12-4-3-5-13-38)10-11-23(39)26(21)29(41)25(18)31(43)34(22,46)32(44)27(30(28)42)33(35)45;1-13-28(14(2)46-34-13)47(44,45)35-17-7-5-15(6-8-17)18-9-10-21(37)23-19(18)11-16-12-20-25(36(3)4)27(39)24(31(33)42)30(41)32(20,43)29(40)22(16)26(23)38;1-30(2)21-15-9-11-8-13-12(14-10-29-7-6-17(14)38-3)4-5-16(31)19(13)22(32)18(11)24(34)27(15,37)25(35)20(23(21)33)26(28)36/h5-10,15,19-20,25,42-43,46,50H,3-4,11-13H2,1-2H3,(H2,38,47)(H,39,48);6-11,18,22,28,39,41,44,46H,3-5,12-16H2,1-2H3,(H2,35,45)(H,36,40);5-10,16,20,25,35,37-38,41,43H,11-12H2,1-4H3,(H2,33,42);4-7,10-11,15,21,31-32,35,37H,8-9H2,1-3H3,(H2,28,36)/t15-,19-,20?,25-,33-;18-,22-,28?,34-;16-,20-,25?,32-;11-,15-,21-,27-/m0000/s1
InChIKeyXGLMWACNVVAEBT-SZUVLOPUSA-N
XLogP7.25
TPSA821.63 Ų
H-Bond Donors23
H-Bond Acceptors42
Rotatable Bonds21
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002515.57
LogP ≤ 57.25
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The IUPAC name of N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CID 159281769) is N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide.
What is the SMILES notation for N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The canonical SMILES for N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is CN(C)C1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)CN6CCCCC6)cc5)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(-c5ccc(NC(=O)C6CCCN6C(=O)C(F)(F)F)cc5)c4C[C@H]3C[C@@H]12.COc1ccncc1-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.Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccc(O)c3c2C[C@H]2C[C@H]4C(N(C)C)C(=O)C(C(N)=O)=C(O)[C@@]4(O)C(=O)C2=C3O)cc1.
What is the InChIKey of N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
The InChIKey is XGLMWACNVVAEBT-SZUVLOPUSA-N. The full InChI is InChI=1S/C34H33F3N4O9.C34H38N4O8.C32H32N4O10S.C27H27N3O8/c1-40(2)25-19-13-15-12-18-17(14-5-7-16(8-6-14)39-31(48)20-4-3-11-41(20)32(49)34(35,36)37)9-10-21(42)23(18)26(43)22(15)28(45)33(19,50)29(46)24(27(25)44)30(38)47;1-37(2)28-22-15-18-14-21-20(17-6-8-19(9-7-17)36-24(40)16-38-12-4-3-5-13-38)10-11-23(39)26(21)29(41)25(18)31(43)34(22,46)32(44)27(30(28)42)33(35)45;1-13-28(14(2)46-34-13)47(44,45)35-17-7-5-15(6-8-17)18-9-10-21(37)23-19(18)11-16-12-20-25(36(3)4)27(39)24(31(33)42)30(41)32(20,43)29(40)22(16)26(23)38;1-30(2)21-15-9-11-8-13-12(14-10-29-7-6-17(14)38-3)4-5-16(31)19(13)22(32)18(11)24(34)27(15,37)25(35)20(23(21)33)26(28)36/h5-10,15,19-20,25,42-43,46,50H,3-4,11-13H2,1-2H3,(H2,38,47)(H,39,48);6-11,18,22,28,39,41,44,46H,3-5,12-16H2,1-2H3,(H2,35,45)(H,36,40);5-10,16,20,25,35,37-38,41,43H,11-12H2,1-4H3,(H2,33,42);4-7,10-11,15,21,31-32,35,37H,8-9H2,1-3H3,(H2,28,36)/t15-,19-,20?,25-,33-;18-,22-,28?,34-;16-,20-,25?,32-;11-,15-,21-,27-/m0000/s1.
What are the key properties of N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide?
N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide has a molecular weight of 2515.57 g/mol, XLogP of 7.25, 21 rotatable bonds, 23 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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]phenyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-7-(4-methoxy-3-pyridinyl)-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;(4aS,5aR,12aR)-4-(dimethylamino)-7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 159281769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).