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Summary Geometry Related PDB entries

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Summary

Name:	~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide
Formula:	C22 H19 N5 O2
Formal charge:	0
Formula weight:	385.419 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H19N5O2/c1-13-12-19(16-10-11-24-20(16)21(13)28)27-26-15-8-6-14(7-9-15)22(29)25-18-5-3-2-4-17(18)23/h2-12,24,28H,23H2,1H3,(H,25,29)/b27-26+
InChIKey	InChI	1.06	AVQOPWVXLVSAIX-CYYJNZCTSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N=Nc2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4c1O
SMILES	CACTVS	3.385	Cc1cc(N=Nc2ccc(cc2)C(=O)Nc3ccccc3N)c4cc[nH]c4c1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c2cc[nH]c2c1O)/N=N/c3ccc(cc3)C(=O)Nc4ccccc4N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c2cc[nH]c2c1O)N=Nc3ccc(cc3)C(=O)Nc4ccccc4N

223532

PDB entries from 2024-08-07

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