4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate

C175H163N29O24S3 — CID 157081691

IUPAC4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(-c3csc(C)n3)cc12.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]c2ccc(S(C)(=O)=O)cc12.CC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1
InChIInChI=1S/C27H27N5O5S.C27H23N5O2S.C27H26N4O3.C25H24N4O3.C25H22N4O3.C24H22N4O4S.C20H19N3O4/c1-17(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(25-20-13-18(24-14-35-16(2)30-24)9-12-22(20)31-27(25)34)29-19-10-7-17(8-11-19)26(33)32-23-6-4-3-5-21(23)28;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;1-14(22-18-13-17(33(2,31)32)11-12-20(18)27-24(22)30)26-16-9-7-15(8-10-16)23(29)28-21-6-4-3-5-19(21)25;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-11,16,30,34H,12-15,28H2,1H3,(H,31,33);3-14,31,34H,28H2,1-2H3,(H,32,33);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);3-13,27,30H,25H2,1-2H3,(H,28,29);4-10,23,25H,1-3H3,(H,21,24)/b29-17+;29-15+;29-16+;2*27-14+;26-14+;22-11+
InChIKeyFMXSXHQIXBTXKZ-JSZBPOBWSA-N
MW3152.61 g/mol
LogP33.20
Rot. Bonds36

About 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate

4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate (PubChem CID 157081691) has the molecular formula C175H163N29O24S3 and a molecular weight of 3152.61 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-[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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Name4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
PubChem CID157081691
Molecular FormulaC175H163N29O24S3
Molecular Weight3152.61 g/mol
Exact Mass3150.16
IUPAC Name4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate
SMILESC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(-c3csc(C)n3)cc12.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]c2ccc(S(C)(=O)=O)cc12.CC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1
InChIInChI=1S/C27H27N5O5S.C27H23N5O2S.C27H26N4O3.C25H24N4O3.C25H22N4O3.C24H22N4O4S.C20H19N3O4/c1-17(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(25-20-13-18(24-14-35-16(2)30-24)9-12-22(20)31-27(25)34)29-19-10-7-17(8-11-19)26(33)32-23-6-4-3-5-21(23)28;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;1-14(22-18-13-17(33(2,31)32)11-12-20(18)27-24(22)30)26-16-9-7-15(8-10-16)23(29)28-21-6-4-3-5-19(21)25;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-11,16,30,34H,12-15,28H2,1H3,(H,31,33);3-14,31,34H,28H2,1-2H3,(H,32,33);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);3-13,27,30H,25H2,1-2H3,(H,28,29);4-10,23,25H,1-3H3,(H,21,24)/b29-17+;29-15+;29-16+;2*27-14+;26-14+;22-11+
InChIKeyFMXSXHQIXBTXKZ-JSZBPOBWSA-N
XLogP33.20
TPSA872.79 Ų
H-Bond Donors28
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003152.61
LogP ≤ 533.20
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate with MolForge

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Related Compounds

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
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)-1,6-dihydro-[1,2]thiazolo[4,3-e]indol-8-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide
CID 158892487
4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylic acid
CID 159417131
3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-5-carboxamide;N-(2-aminophenyl)-4-[[5-[4-(dimethylamino)butanoyl]-2-hydroxy-1H-indol-3-yl]methylideneamino]benzamide;N-(2-aminophenyl)-4-[[1-(2-hydroxy-1H-indol-3-yl)-2-methoxyethylidene]amino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;methyl 3-[[4-[(2-aminophenyl)carbamoyl]phenyl]iminomethyl]-2-hydroxy-1H-indole-5-carboxylate;methyl 3-[N-[4-[(2-aminophenyl)carbamoyl]phenyl]-C-methylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxylate
CID 159481488

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The IUPAC name of 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate (CID 157081691) is 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate.
What is the SMILES notation for 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The canonical SMILES for 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate is C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(-c3csc(C)n3)cc12.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]c2ccc(S(C)(=O)=O)cc12.CC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.CNC(=O)c1ccc(/N=C(\C)c2c(O)[nH]c3ccc(C(=O)OC)cc23)cc1.
What is the InChIKey of 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
The InChIKey is FMXSXHQIXBTXKZ-JSZBPOBWSA-N. The full InChI is InChI=1S/C27H27N5O5S.C27H23N5O2S.C27H26N4O3.C25H24N4O3.C25H22N4O3.C24H22N4O4S.C20H19N3O4/c1-17(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(25-20-13-18(24-14-35-16(2)30-24)9-12-22(20)31-27(25)34)29-19-10-7-17(8-11-19)26(33)32-23-6-4-3-5-21(23)28;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;1-14(22-18-13-17(33(2,31)32)11-12-20(18)27-24(22)30)26-16-9-7-15(8-10-16)23(29)28-21-6-4-3-5-19(21)25;1-11(22-14-7-4-12(5-8-14)18(24)21-2)17-15-10-13(20(26)27-3)6-9-16(15)23-19(17)25/h2-11,16,30,34H,12-15,28H2,1H3,(H,31,33);3-14,31,34H,28H2,1-2H3,(H,32,33);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);3-13,27,30H,25H2,1-2H3,(H,28,29);4-10,23,25H,1-3H3,(H,21,24)/b29-17+;29-15+;29-16+;2*27-14+;26-14+;22-11+.
What are the key properties of 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate?
4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate has a molecular weight of 3152.61 g/mol, XLogP of 33.20, 36 rotatable bonds, 28 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-acetyl-2-hydroxy-1H-indol-3-yl)ethylideneamino]-N-(2-aminophenyl)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-(2-hydroxy-5-methylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-3-yl]ethylideneamino]benzamide;N-(2-aminophenyl)-4-[1-(2-hydroxy-5-morpholin-4-ylsulfonyl-1H-indol-3-yl)ethylideneamino]benzamide;methyl 2-hydroxy-3-[C-methyl-N-[4-(methylcarbamoyl)phenyl]carbonimidoyl]-1H-indole-5-carboxylate is sourced from PubChem (CID 157081691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).