(1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

C164H194Cl5N15O20S — CID 159000057

About (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

(1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (PubChem CID 159000057) has the molecular formula C164H194Cl5N15O20S and a molecular weight of 2904.77 g/mol. Its IUPAC name is (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

Molecular Properties

• Compound Name: (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• PubChem CID: 159000057
• Molecular Formula: C164H194Cl5N15O20S
• Molecular Weight: 2904.77 g/mol
• Exact Mass: 2900.28
• IUPAC Name: (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• SMILES: CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1C(N)=O.CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1N(C)C.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCCCC(=O)C4)CC3)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1N(C)C)N(c1ccc([C@H](C)N3CCS(=O)(=O)CC3)cc1)C(=O)C2
• InChI: InChI=1S/C39H48ClN3O4.C33H40ClN3O5S.C33H38ClN3O4.C30H36ClN3O3.C29H32ClN3O4/c1-26(2)47-37-23-35-29(21-36(37)46-4)22-38(45)43(39(35)28-10-12-30(40)13-11-28)33-18-16-31(17-19-33)41(3)24-27-8-14-32(15-9-27)42-20-6-5-7-34(44)25-42;1-21(2)42-31-20-28-24(17-30(31)41-6)18-32(38)37(33(28)27-12-9-25(34)19-29(27)35(4)5)26-10-7-23(8-11-26)22(3)36-13-15-43(39,40)16-14-36;1-21(2)41-31-20-29-26(18-30(31)40-5)19-32(39)37(33(29)25-6-10-27(34)11-7-25)28-12-8-24(9-13-28)22(3)35-14-16-36(17-15-35)23(4)38;1-8-19(2)37-28-18-25-20(15-27(28)36-7)16-29(35)34(23-12-10-22(11-13-23)32(3)4)30(25)24-14-9-21(31)17-26(24)33(5)6;1-6-17(2)37-26-16-23-18(13-25(26)36-5)14-27(34)33(21-10-8-20(9-11-21)32(3)4)28(23)22-12-7-19(30)15-24(22)29(31)35/h10-13,16-19,21,23,26-27,32,39H,5-9,14-15,20,22,24-25H2,1-4H3;7-12,17,19-22,33H,13-16,18H2,1-6H3;6-13,18,20-22,33H,14-17,19H2,1-5H3;9-15,17-19,30H,8,16H2,1-7H3;7-13,15-17,28H,6,14H2,1-5H3,(H2,31,35)/t27?,32?,39-;2*22-,33-;19-,30?;17-,28?/m00011/s1
• InChIKey: JRFQQXZLHZCLDC-PURICFSVSA-N
• XLogP: 31.28
• TPSA: 334.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2904.77
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The IUPAC name of (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (CID 159000057) is (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

What is the SMILES notation for (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The canonical SMILES for (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1C(N)=O.CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1N(C)C.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCCCC(=O)C4)CC3)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1N(C)C)N(c1ccc([C@H](C)N3CCS(=O)(=O)CC3)cc1)C(=O)C2.

What is the InChIKey of (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The InChIKey is JRFQQXZLHZCLDC-PURICFSVSA-N. The full InChI is InChI=1S/C39H48ClN3O4.C33H40ClN3O5S.C33H38ClN3O4.C30H36ClN3O3.C29H32ClN3O4/c1-26(2)47-37-23-35-29(21-36(37)46-4)22-38(45)43(39(35)28-10-12-30(40)13-11-28)33-18-16-31(17-19-33)41(3)24-27-8-14-32(15-9-27)42-20-6-5-7-34(44)25-42;1-21(2)42-31-20-28-24(17-30(31)41-6)18-32(38)37(33(28)27-12-9-25(34)19-29(27)35(4)5)26-10-7-23(8-11-26)22(3)36-13-15-43(39,40)16-14-36;1-21(2)41-31-20-29-26(18-30(31)40-5)19-32(39)37(33(29)25-6-10-27(34)11-7-25)28-12-8-24(9-13-28)22(3)35-14-16-36(17-15-35)23(4)38;1-8-19(2)37-28-18-25-20(15-27(28)36-7)16-29(35)34(23-12-10-22(11-13-23)32(3)4)30(25)24-14-9-21(31)17-26(24)33(5)6;1-6-17(2)37-26-16-23-18(13-25(26)36-5)14-27(34)33(21-10-8-20(9-11-21)32(3)4)28(23)22-12-7-19(30)15-24(22)29(31)35/h10-13,16-19,21,23,26-27,32,39H,5-9,14-15,20,22,24-25H2,1-4H3;7-12,17,19-22,33H,13-16,18H2,1-6H3;6-13,18,20-22,33H,14-17,19H2,1-5H3;9-15,17-19,30H,8,16H2,1-7H3;7-13,15-17,28H,6,14H2,1-5H3,(H2,31,35)/t27?,32?,39-;2*22-,33-;19-,30?;17-,28?/m00011/s1.

What are the key properties of (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

(1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one has a molecular weight of 2904.77 g/mol, XLogP of 31.28, 40 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-[4-[(1S)-1-(4-acetylpiperazin-1-yl)ethyl]phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;7-[(2R)-butan-2-yl]oxy-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]-6-methoxy-1,4-dihydroisoquinolin-3-one;2-[7-[(2R)-butan-2-yl]oxy-2-[4-(dimethylamino)phenyl]-6-methoxy-3-oxo-1,4-dihydroisoquinolin-1-yl]-5-chlorobenzamide;(1R)-1-[4-chloro-2-(dimethylamino)phenyl]-2-[4-[(1S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(3-oxoazepan-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 159000057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).