8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

C236H255Cl2N31O48S4 — CID 172919630

About 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 172919630) has the molecular formula C236H255Cl2N31O48S4 and a molecular weight of 4492.98 g/mol. Its IUPAC name is 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

• Compound Name: 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
• PubChem CID: 172919630
• Molecular Formula: C236H255Cl2N31O48S4
• Molecular Weight: 4492.98 g/mol
• Exact Mass: 4488.67
• IUPAC Name: 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
• SMILES: CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc21.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.COC(=O)N1C[C@@H](c2ccc(OC)c(OC)c2)[C@](C)(C(C)=O)C1.COc1cc2cc(C(N)=NO)sc2cc1OC.COc1ccc(-c2csc(/C(N)=N/O)n2)cc1OC.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc([C@@H]2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1.Cc1c(C)c(C(=O)Oc2c(C)c(O)c(C)c(C)c2SSc2c(C)c(C)c(O)c(C)c2OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(O)c(C)c1O.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1
• InChI: InChI=1S/C38H42O10S2.C30H18O10.C29H36N6O2.C23H28N4O4.C17H23NO5.C16H11Cl2N3O2.C16H24N4O3.C15H10N4O.C15H20N2O4.C14H18N2O.C12H13N3O3S.C11H12N2O3S/c1-13-15(3)27(39)21(9)31(43)25(13)37(45)47-33-23(11)29(41)17(5)19(7)35(33)49-50-36-20(8)18(6)30(42)24(12)34(36)48-38(46)26-14(2)16(4)28(40)22(10)32(26)44;31-16-8-22(34)27-25(10-16)38-12-19(29(27)36)14-1-4-18(5-2-14)40-24-7-15(3-6-21(24)33)20-13-39-26-11-17(32)9-23(35)28(26)30(20)37;1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18;1-11(19)17(2)10-18(16(20)23-5)9-13(17)12-6-7-14(21-3)15(8-12)22-4;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16;1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h39-44H,1-12H3;1-13,31-35H;4-13,21,26H,14-20H2,1-3H3,(H,30,31);5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29);6-8,13H,9-10H2,1-5H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;1-9H,(H,17,18);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;3-6,16H,1-2H3,(H2,13,15);3-5,14H,1-2H3,(H2,12,13)/b;;;;;;;;17-10+;;;/t;;;19-;13-,17-;;;;;;;/m...00......./s1
• InChIKey: BUKDTWPCPDPNLT-XULVKXGSSA-N
• XLogP: 41.42
• TPSA: 1064.12 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 74
• Rotatable Bonds: 56
• Heavy Atoms: 321
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4492.98
LogP ≤ 5	41.42
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	74

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The IUPAC name of 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (CID 172919630) is 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

What is the SMILES notation for 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The canonical SMILES for 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is CC(C)C(=O)c1c(C(C)C)nn2ccccc12.CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc21.CCCCn1c(=O)c2c(ncn2CC(C)=O)n(CCCC)c1=O.COC(=O)N1C[C@@H](c2ccc(OC)c(OC)c2)[C@](C)(C(C)=O)C1.COc1cc2cc(C(N)=NO)sc2cc1OC.COc1ccc(-c2csc(/C(N)=N/O)n2)cc1OC.COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1.COc1ccc(C(=O)Nc2cc(Cl)cnc2Cl)c2cccnc12.COc1ccc([C@@H]2CC(=O)N(C(=O)NCc3cccnc3)N2C)cc1OC1CCCC1.Cc1c(C)c(C(=O)Oc2c(C)c(O)c(C)c(C)c2SSc2c(C)c(C)c(O)c(C)c2OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(O)c(C)c1O.O=c1c(-c2ccc(Oc3cc(-c4coc5cc(O)cc(O)c5c4=O)ccc3O)cc2)coc2cc(O)cc(O)c12.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1.

What is the InChIKey of 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

The InChIKey is BUKDTWPCPDPNLT-XULVKXGSSA-N. The full InChI is InChI=1S/C38H42O10S2.C30H18O10.C29H36N6O2.C23H28N4O4.C17H23NO5.C16H11Cl2N3O2.C16H24N4O3.C15H10N4O.C15H20N2O4.C14H18N2O.C12H13N3O3S.C11H12N2O3S/c1-13-15(3)27(39)21(9)31(43)25(13)37(45)47-33-23(11)29(41)17(5)19(7)35(33)49-50-36-20(8)18(6)30(42)24(12)34(36)48-38(46)26-14(2)16(4)28(40)22(10)32(26)44;31-16-8-22(34)27-25(10-16)38-12-19(29(27)36)14-1-4-18(5-2-14)40-24-7-15(3-6-21(24)33)20-13-39-26-11-17(32)9-23(35)28(26)30(20)37;1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;1-26-19(13-22(28)27(26)23(29)25-15-16-6-5-11-24-14-16)17-9-10-20(30-2)21(12-17)31-18-7-3-4-8-18;1-11(19)17(2)10-18(16(20)23-5)9-13(17)12-6-7-14(21-3)15(8-12)22-4;1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18;1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10;1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12;1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13;1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16;1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h39-44H,1-12H3;1-13,31-35H;4-13,21,26H,14-20H2,1-3H3,(H,30,31);5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3,(H,25,29);6-8,13H,9-10H2,1-5H3;2-8H,1H3,(H,21,22);11H,4-10H2,1-3H3;1-9H,(H,17,18);7-9,12H,3-6H2,1-2H3,(H2,16,18);5-10H,1-4H3;3-6,16H,1-2H3,(H2,13,15);3-5,14H,1-2H3,(H2,12,13)/b;;;;;;;;17-10+;;;/t;;;19-;13-,17-;;;;;;;/m...00......./s1.

What are the key properties of 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?

8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 4492.98 g/mol, XLogP of 41.42, 56 rotatable bonds, 20 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate;(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrazolidine-1-carboxamide;1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione;N-(2,5-dichloro-3-pyridinyl)-8-methoxyquinoline-5-carboxamide;3-[4-[5-(5,7-dihydroxy-4-oxochromen-3-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one;[2-[[2-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-4-hydroxy-3,5,6-trimethylphenyl]disulfanyl]-5-hydroxy-3,4,6-trimethylphenyl] 2,4-dihydroxy-3,5,6-trimethylbenzoate;4-(3,4-dimethoxyphenyl)-N'-hydroxy-1,3-thiazole-2-carboximidamide;N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;methyl (3S,4S)-3-acetyl-4-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-1-carboxylate;2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).