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

C178H163N31O23S2 — CID 159481488

IUPAC3-[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
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)N(C)C)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(S(C)(=O)=O)cc12.CN(C)CCCC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C28H29N5O3.C27H23N5O2S.C26H25N5O3.C25H22N4O4.C24H22N4O4S.C24H20N4O4.C24H22N4O3/c1-33(2)15-5-8-26(34)19-11-14-24-21(16-19)22(28(36)31-24)17-30-20-12-9-18(10-13-20)27(35)32-25-7-4-3-6-23(25)29;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(23-19-14-17(26(34)31(2)3)10-13-21(19)29-25(23)33)28-18-11-8-16(9-12-18)24(32)30-22-7-5-4-6-20(22)27;1-14(22-18-13-16(25(32)33-2)9-12-20(18)28-24(22)31)27-17-10-7-15(8-11-17)23(30)29-21-6-4-3-5-19(21)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;1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25;1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h3-4,6-7,9-14,16-17,31,36H,5,8,15,29H2,1-2H3,(H,32,35);3-14,31,34H,28H2,1-2H3,(H,32,33);4-14,29,33H,27H2,1-3H3,(H,30,32);3-13,28,31H,26H2,1-2H3,(H,29,30);3-13,27,30H,25H2,1-2H3,(H,28,29);2-13,27,30H,25H2,1H3,(H,28,29);2-13,27,30H,14,25H2,1H3,(H,28,29)/b30-17+;29-15+;28-15+;27-14+;26-14+;26-13+;26-21+
InChIKeyXTVXJPAFLFZTET-PFGDZUPKSA-N
MW3168.59 g/mol
LogP33.42
Rot. Bonds40

About 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

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 (PubChem CID 159481488) has the molecular formula C178H163N31O23S2 and a molecular weight of 3168.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159481488
Molecular FormulaC178H163N31O23S2
Molecular Weight3168.59 g/mol
Exact Mass3166.20
IUPAC Name3-[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
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)N(C)C)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(S(C)(=O)=O)cc12.CN(C)CCCC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C28H29N5O3.C27H23N5O2S.C26H25N5O3.C25H22N4O4.C24H22N4O4S.C24H20N4O4.C24H22N4O3/c1-33(2)15-5-8-26(34)19-11-14-24-21(16-19)22(28(36)31-24)17-30-20-12-9-18(10-13-20)27(35)32-25-7-4-3-6-23(25)29;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(23-19-14-17(26(34)31(2)3)10-13-21(19)29-25(23)33)28-18-11-8-16(9-12-18)24(32)30-22-7-5-4-6-20(22)27;1-14(22-18-13-16(25(32)33-2)9-12-20(18)28-24(22)31)27-17-10-7-15(8-11-17)23(30)29-21-6-4-3-5-19(21)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;1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25;1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h3-4,6-7,9-14,16-17,31,36H,5,8,15,29H2,1-2H3,(H,32,35);3-14,31,34H,28H2,1-2H3,(H,32,33);4-14,29,33H,27H2,1-3H3,(H,30,32);3-13,28,31H,26H2,1-2H3,(H,29,30);3-13,27,30H,25H2,1-2H3,(H,28,29);2-13,27,30H,25H2,1H3,(H,28,29);2-13,27,30H,14,25H2,1H3,(H,28,29)/b30-17+;29-15+;28-15+;27-14+;26-14+;26-13+;26-21+
InChIKeyXTVXJPAFLFZTET-PFGDZUPKSA-N
XLogP33.42
TPSA873.98 Ų
H-Bond Donors28
H-Bond Acceptors40
Rotatable Bonds40
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003168.59
LogP ≤ 533.42
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)N(C)C)cc12.C/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccc(S(C)(=O)=O)cc12.CN(C)CCCC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C(C)=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(C(=O)Nc4ccccc4N)cc3)c2c1.COC/C(=N\c1ccc(C(=O)Nc2ccccc2N)cc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 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?
The InChIKey is XTVXJPAFLFZTET-PFGDZUPKSA-N. The full InChI is InChI=1S/C28H29N5O3.C27H23N5O2S.C26H25N5O3.C25H22N4O4.C24H22N4O4S.C24H20N4O4.C24H22N4O3/c1-33(2)15-5-8-26(34)19-11-14-24-21(16-19)22(28(36)31-24)17-30-20-12-9-18(10-13-20)27(35)32-25-7-4-3-6-23(25)29;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(23-19-14-17(26(34)31(2)3)10-13-21(19)29-25(23)33)28-18-11-8-16(9-12-18)24(32)30-22-7-5-4-6-20(22)27;1-14(22-18-13-16(25(32)33-2)9-12-20(18)28-24(22)31)27-17-10-7-15(8-11-17)23(30)29-21-6-4-3-5-19(21)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;1-32-24(31)15-8-11-20-17(12-15)18(23(30)27-20)13-26-16-9-6-14(7-10-16)22(29)28-21-5-3-2-4-19(21)25;1-31-14-21(22-17-6-2-4-8-19(17)27-24(22)30)26-16-12-10-15(11-13-16)23(29)28-20-9-5-3-7-18(20)25/h3-4,6-7,9-14,16-17,31,36H,5,8,15,29H2,1-2H3,(H,32,35);3-14,31,34H,28H2,1-2H3,(H,32,33);4-14,29,33H,27H2,1-3H3,(H,30,32);3-13,28,31H,26H2,1-2H3,(H,29,30);3-13,27,30H,25H2,1-2H3,(H,28,29);2-13,27,30H,25H2,1H3,(H,28,29);2-13,27,30H,14,25H2,1H3,(H,28,29)/b30-17+;29-15+;28-15+;27-14+;26-14+;26-13+;26-21+.
What are the key properties of 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?
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 has a molecular weight of 3168.59 g/mol, XLogP of 33.42, 40 rotatable bonds, 28 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159481488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).