(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

C155H175N15O41 — CID 160694622

About (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

(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 (PubChem CID 160694622) has the molecular formula C155H175N15O41 and a molecular weight of 2904.17 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 160694622
• Molecular Formula: C155H175N15O41
• Molecular Weight: 2904.17 g/mol
• Exact Mass: 2902.21
• IUPAC Name: (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
• SMILES: CN(C)CC#Cc1cc(C(C)(C)C)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.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(CN6CCCC6)o5)c4C[C@H]3C[C@@H]12.CNC.CNC.COc1ccc(-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)cc1CN.COc1ccc(OC(=O)Nc2ccc(-c3ccc(O)c4c3CC3CC5CC(=O)C(C(N)=O)=C(O)C5C(=O)C3=C4O)cc2)cc1.NC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)C6CC6)cc5)c4C[C@H]3C[C@H]2CC1=O.O.[H][H].[H][H]
• InChI: InChI=1S/C33H28N2O9.C30H33N3O8.C30H37N3O7.C29H31N3O8.C29H26N2O8.2C2H7N.H2O.2H2/c1-43-19-6-8-20(9-7-19)44-33(42)35-18-4-2-15(3-5-18)21-10-11-23(36)27-22(21)13-16-12-17-14-24(37)28(32(34)41)31(40)26(17)29(38)25(16)30(27)39;1-32(2)24-18-12-14-11-17-16(20-8-5-15(41-20)13-33-9-3-4-10-33)6-7-19(34)22(17)25(35)21(14)27(37)30(18,40)28(38)23(26(24)36)29(31)39;1-29(2,3)18-12-14(9-8-10-32(4)5)16-11-15-13-17-22(33(6)7)25(36)21(28(31)39)27(38)30(17,40)26(37)19(15)24(35)20(16)23(18)34;1-32(2)23-17-10-13-9-16-15(12-4-7-19(40-3)14(8-12)11-30)5-6-18(33)21(16)24(34)20(13)26(36)29(17,39)27(37)22(25(23)35)28(31)38;30-27(37)23-20(33)11-15-9-14-10-18-17(12-3-5-16(6-4-12)31-28(38)13-1-2-13)7-8-19(32)22(18)24(34)21(14)25(35)29(15,39)26(23)36;2*1-3-2;;;/h2-11,16-17,26,36,39-40H,12-14H2,1H3,(H2,34,41)(H,35,42);5-8,14,18,24,34-35,38,40H,3-4,9-13H2,1-2H3,(H2,31,39);12,15,17,22,34-35,38,40H,10-11,13H2,1-7H3,(H2,31,39);4-8,13,17,23,33-34,37,39H,9-11,30H2,1-3H3,(H2,31,38);3-8,13-15,32,34,36,39H,1-2,9-11H2,(H2,30,37)(H,31,38);2*3H,1-2H3;1H2;2*1H/t;14-,18-,24-,30-;15-,17-,22-,30-;13-,17-,23-,29-;14-,15+,29+;;;;;/m.0001...../s1
• InChIKey: DEEAXDGOJWWTNG-WZUMIYGSSA-N
• XLogP: 10.47
• TPSA: 967.33 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 48
• Rotatable Bonds: 22
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2904.17
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CN(C)CC#Cc1cc(C(C)(C)C)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.CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(CN6CCCC6)o5)c4C[C@H]3C[C@@H]12.CNC.CNC.COc1ccc(-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)cc1CN.COc1ccc(OC(=O)Nc2ccc(-c3ccc(O)c4c3CC3CC5CC(=O)C(C(N)=O)=C(O)C5C(=O)C3=C4O)cc2)cc1.NC(=O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(-c5ccc(NC(=O)C6CC6)cc5)c4C[C@H]3C[C@H]2CC1=O.O.[H][H].[H][H].

What is the InChIKey of (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?

The InChIKey is DEEAXDGOJWWTNG-WZUMIYGSSA-N. The full InChI is InChI=1S/C33H28N2O9.C30H33N3O8.C30H37N3O7.C29H31N3O8.C29H26N2O8.2C2H7N.H2O.2H2/c1-43-19-6-8-20(9-7-19)44-33(42)35-18-4-2-15(3-5-18)21-10-11-23(36)27-22(21)13-16-12-17-14-24(37)28(32(34)41)31(40)26(17)29(38)25(16)30(27)39;1-32(2)24-18-12-14-11-17-16(20-8-5-15(41-20)13-33-9-3-4-10-33)6-7-19(34)22(17)25(35)21(14)27(37)30(18,40)28(38)23(26(24)36)29(31)39;1-29(2,3)18-12-14(9-8-10-32(4)5)16-11-15-13-17-22(33(6)7)25(36)21(28(31)39)27(38)30(17,40)26(37)19(15)24(35)20(16)23(18)34;1-32(2)23-17-10-13-9-16-15(12-4-7-19(40-3)14(8-12)11-30)5-6-18(33)21(16)24(34)20(13)26(36)29(17,39)27(37)22(25(23)35)28(31)38;30-27(37)23-20(33)11-15-9-14-10-18-17(12-3-5-16(6-4-12)31-28(38)13-1-2-13)7-8-19(32)22(18)24(34)21(14)25(35)29(15,39)26(23)36;2*1-3-2;;;/h2-11,16-17,26,36,39-40H,12-14H2,1H3,(H2,34,41)(H,35,42);5-8,14,18,24,34-35,38,40H,3-4,9-13H2,1-2H3,(H2,31,39);12,15,17,22,34-35,38,40H,10-11,13H2,1-7H3,(H2,31,39);4-8,13,17,23,33-34,37,39H,9-11,30H2,1-3H3,(H2,31,38);3-8,13-15,32,34,36,39H,1-2,9-11H2,(H2,30,37)(H,31,38);2*3H,1-2H3;1H2;2*1H/t;14-,18-,24-,30-;15-,17-,22-,30-;13-,17-,23-,29-;14-,15+,29+;;;;;/m.0001...../s1.

What are the key properties of (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?

(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 has a molecular weight of 2904.17 g/mol, XLogP of 10.47, 22 rotatable bonds, 29 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 160694622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).