1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione

C227H378N14O19 — CID 158009387

About 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione

1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione (PubChem CID 158009387) has the molecular formula C227H378N14O19 and a molecular weight of 3607.60 g/mol. Its IUPAC name is 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione
• PubChem CID: 158009387
• Molecular Formula: C227H378N14O19
• Molecular Weight: 3607.60 g/mol
• Exact Mass: 3604.90
• IUPAC Name: 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione
• SMILES: C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(CCOCCOCCN(CC(O)CN)C5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CC(O)CN)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(CCOCCOCCN(CC(O)CN5C(=O)c6ccccc6C5=O)C5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CC(O)CN5C(=O)c6ccccc6C5=O)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(NCCOCCOCCNC5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CCC4(C)C3CCC12C.CN.NCCOCCOCCN.O=C1c2ccccc2C(=O)N1CC1CO1
• InChI: InChI=1S/C82H122N4O8.C66H118N4O4.C60H104N2O2.C11H9NO3.C6H16N2O2.CH5N.CH4/c1-53(2)17-15-19-55(5)69-29-31-71-67-27-25-57-47-59(33-37-79(57,7)73(67)35-39-81(69,71)9)83(49-61(87)51-85-75(89)63-21-11-12-22-64(63)76(85)90)41-43-93-45-46-94-44-42-84(50-62(88)52-86-77(91)65-23-13-14-24-66(65)78(86)92)60-34-38-80(8)58(48-60)26-28-68-72-32-30-70(56(6)20-16-18-54(3)4)82(72,10)40-36-74(68)80;1-45(2)13-11-15-47(5)57-21-23-59-55-19-17-49-39-51(25-29-63(49,7)61(55)27-31-65(57,59)9)69(43-53(71)41-67)33-35-73-37-38-74-36-34-70(44-54(72)42-68)52-26-30-64(8)50(40-52)18-20-56-60-24-22-58(48(6)16-12-14-46(3)4)66(60,10)32-28-62(56)64;1-41(2)13-11-15-43(5)51-21-23-53-49-19-17-45-39-47(25-29-57(45,7)55(49)27-31-59(51,53)9)61-33-35-63-37-38-64-36-34-62-48-26-30-58(8)46(40-48)18-20-50-54-24-22-52(44(6)16-12-14-42(3)4)60(54,10)32-28-56(50)58;13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7;7-1-3-9-5-6-10-4-2-8;1-2;/h11-14,21-26,53-56,59-62,67-74,87-88H,15-20,27-52H2,1-10H3;17-18,45-48,51-62,71-72H,11-16,19-44,67-68H2,1-10H3;17-18,41-44,47-56,61-62H,11-16,19-40H2,1-10H3;1-4,7H,5-6H2;1-8H2;2H2,1H3;1H4
• InChIKey: FERRZGKRWJXPNS-UHFFFAOYSA-N
• XLogP: 43.69
• TPSA: 446.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 86
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3607.60
LogP ≤ 5	43.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione?

The IUPAC name of 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione (CID 158009387) is 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione.

What is the SMILES notation for 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione?

The canonical SMILES for 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione is C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(CCOCCOCCN(CC(O)CN)C5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CC(O)CN)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(N(CCOCCOCCN(CC(O)CN5C(=O)c6ccccc6C5=O)C5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CC(O)CN5C(=O)c6ccccc6C5=O)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(NCCOCCOCCNC5CCC6(C)C(=CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CCC4(C)C3CCC12C.CN.NCCOCCOCCN.O=C1c2ccccc2C(=O)N1CC1CO1.

What is the InChIKey of 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione?

The InChIKey is FERRZGKRWJXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H122N4O8.C66H118N4O4.C60H104N2O2.C11H9NO3.C6H16N2O2.CH5N.CH4/c1-53(2)17-15-19-55(5)69-29-31-71-67-27-25-57-47-59(33-37-79(57,7)73(67)35-39-81(69,71)9)83(49-61(87)51-85-75(89)63-21-11-12-22-64(63)76(85)90)41-43-93-45-46-94-44-42-84(50-62(88)52-86-77(91)65-23-13-14-24-66(65)78(86)92)60-34-38-80(8)58(48-60)26-28-68-72-32-30-70(56(6)20-16-18-54(3)4)82(72,10)40-36-74(68)80;1-45(2)13-11-15-47(5)57-21-23-59-55-19-17-49-39-51(25-29-63(49,7)61(55)27-31-65(57,59)9)69(43-53(71)41-67)33-35-73-37-38-74-36-34-70(44-54(72)42-68)52-26-30-64(8)50(40-52)18-20-56-60-24-22-58(48(6)16-12-14-46(3)4)66(60,10)32-28-62(56)64;1-41(2)13-11-15-43(5)51-21-23-53-49-19-17-45-39-47(25-29-57(45,7)55(49)27-31-59(51,53)9)61-33-35-63-37-38-64-36-34-62-48-26-30-58(8)46(40-48)18-20-50-54-24-22-52(44(6)16-12-14-42(3)4)60(54,10)32-28-56(50)58;13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7;7-1-3-9-5-6-10-4-2-8;1-2;/h11-14,21-26,53-56,59-62,67-74,87-88H,15-20,27-52H2,1-10H3;17-18,45-48,51-62,71-72H,11-16,19-44,67-68H2,1-10H3;17-18,41-44,47-56,61-62H,11-16,19-40H2,1-10H3;1-4,7H,5-6H2;1-8H2;2H2,1H3;1H4.

What are the key properties of 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione?

1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 3607.60 g/mol, XLogP of 43.69, 86 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-[2-[2-[2-[(3-amino-2-hydroxypropyl)-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propan-2-ol;2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]ethoxy]ethoxy]ethyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine;2-[3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[2-[2-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]amino]ethoxy]ethoxy]ethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione;methanamine;methane;2-(oxiran-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 158009387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).