English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

X9O

Summary

Name:	~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide
Formula:	C20 H21 N5 O2
Formal charge:	0
Formula weight:	363.413 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H21N5O2/c1-12-10-18(16(22)11-19(12)26)25-24-14-8-6-13(7-9-14)20(27)23-17-5-3-2-4-15(17)21/h2-11,24-26H,21-22H2,1H3,(H,23,27)
InChIKey	InChI	1.06	DDVSAMWBZOAVGX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O
SMILES	CACTVS	3.385	Cc1cc(NNc2ccc(cc2)C(=O)Nc3ccccc3N)c(N)cc1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1O)N)NNc2ccc(cc2)C(=O)Nc3ccccc3N

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon