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Summary Geometry Related PDB entries

A1I0Q

Summary

Name:	2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide
Formula:	C23 H20 Cl2 N4 O
Formal charge:	0
Formula weight:	439.337 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-chloranyl-~{N}-[[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H20Cl2N4O/c1-15-5-4-6-18(25)21(15)28-23-22(27-19-7-2-3-12-29(19)23)17-10-8-16(9-11-17)14-26-20(30)13-24/h2-12,28H,13-14H2,1H3,(H,26,30)
InChIKey	InChI	1.06	VTWGMWNUMCBRLX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(Cl)c1Nc2n3ccccc3nc2c4ccc(CNC(=O)CCl)cc4
SMILES	CACTVS	3.385	Cc1cccc(Cl)c1Nc2n3ccccc3nc2c4ccc(CNC(=O)CCl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(c1Nc2c(nc3n2cccc3)c4ccc(cc4)CNC(=O)CCl)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1Nc2c(nc3n2cccc3)c4ccc(cc4)CNC(=O)CCl)Cl

251801

PDB entries from 2026-04-08

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