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Summary Geometry PCM/PTM Related PDB entries

A1I0V

Summary

Name:	2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide
Formula:	C22 H19 Cl N4 O
Formal charge:	0
Formula weight:	390.865 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H19ClN4O/c23-14-20(28)25-18-11-9-17(10-12-18)21-22(24-15-16-6-2-1-3-7-16)27-13-5-4-8-19(27)26-21/h1-13,24H,14-15H2,(H,25,28)
InChIKey	InChI	1.06	BYELKRKGODWMMQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4
SMILES	CACTVS	3.385	ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl

255900

PDB entries from 2026-07-01

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