C159H152N28O19S2 — CID 158597084
4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)benzamide;N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(1-hydroxyethyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methylpropanoyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide (PubChem CID 158597084) has the molecular formula C159H152N28O19S2 and a molecular weight of 2823.28 g/mol. Its IUPAC name is 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)benzamide;N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(1-hydroxyethyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methylpropanoyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide.
| Compound Name | 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)benzamide;N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(1-hydroxyethyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methylpropanoyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide |
|---|---|
| PubChem CID | 158597084 |
| Molecular Formula | C159H152N28O19S2 |
| Molecular Weight | 2823.28 g/mol |
| Exact Mass | 2821.12 |
| IUPAC Name | 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)benzamide;N-(2-aminophenyl)-4-[[cyclopropyl-(2-hydroxy-1H-indol-3-yl)methylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(1-hydroxyethyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methylpropanoyl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[7-hydroxy-2-(2-morpholin-4-ylethylamino)-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide |
| SMILES | C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(=O)C(C)C)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(C(C)O)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc3nc(NCCN4CCOCC4)sc3c12.CC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.Nc1ccccc1NC(=O)c1ccc(/N=C(/c2c(O)[nH]c3ccccc23)C2CC2)cc1 |
| InChI | InChI=1S/C30H31N7O3S.C27H27N5O5S.C27H26N4O3.C25H24N4O3.C25H22N4O3.C25H22N4O2/c1-18(33-20-8-6-19(7-9-20)28(38)34-22-5-3-2-4-21(22)31)25-26-23(35-29(25)39)10-11-24-27(26)41-30(36-24)32-12-13-37-14-16-40-17-15-37;1-17(29-19-8-6-18(7-9-19)26(33)31-24-5-3-2-4-22(24)28)25-21-16-20(10-11-23(21)30-27(25)34)38(35,36)32-12-14-37-15-13-32;1-15(2)25(32)18-10-13-22-20(14-18)24(27(34)30-22)16(3)29-19-11-8-17(9-12-19)26(33)31-23-7-5-4-6-21(23)28;2*1-14(23-19-13-17(15(2)30)9-12-21(19)28-25(23)32)27-18-10-7-16(8-11-18)24(31)29-22-6-4-3-5-20(22)26;26-19-6-2-4-8-21(19)29-24(30)16-11-13-17(14-12-16)27-23(15-9-10-15)22-18-5-1-3-7-20(18)28-25(22)31/h2-11,35,39H,12-17,31H2,1H3,(H,32,36)(H,34,38);2-11,16,30,34H,12-15,28H2,1H3,(H,31,33);4-15,30,34H,28H2,1-3H3,(H,31,33);3-13,15,28,30,32H,26H2,1-2H3,(H,29,31);3-13,28,32H,26H2,1-2H3,(H,29,31);1-8,11-15,28,31H,9-10,26H2,(H,29,30)/b33-18+;29-17+;29-16+;2*27-14+;27-23+ |
| InChIKey | BZEAVYMRWVZBQU-NRNHVLPUSA-N |
| XLogP | 29.95 |
| TPSA | 759.37 Ų |
| H-Bond Donors | 26 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2823.28 |
| LogP ≤ 5 | 29.95 |
| H-Bond Donors ≤ 5 | 26 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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