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Summary Geometry Related PDB entries

A1KCQ

Summary

Name:	3-methyl-2-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
Formula:	C26 H25 N7 O2
Formal charge:	0
Formula weight:	467.522 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-methyl-2-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-8-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H25N7O2/c1-16-23(21-12-28-13-22-24(21)29-15-31(22)2)30-26-20(25(27)34)11-18(14-33(16)26)17-3-5-19(6-4-17)32-7-9-35-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H2,27,34)
InChIKey	InChI	1.06	ZQLKPDXGJZCXBP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cnc2c1cncc2c3nc4n(cc(cc4C(N)=O)c5ccc(cc5)N6CCOCC6)c3C
SMILES	CACTVS	3.385	Cn1cnc2c1cncc2c3nc4n(cc(cc4C(N)=O)c5ccc(cc5)N6CCOCC6)c3C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc2n1cc(cc2C(=O)N)c3ccc(cc3)N4CCOCC4)c5cncc6c5ncn6C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc2n1cc(cc2C(=O)N)c3ccc(cc3)N4CCOCC4)c5cncc6c5ncn6C

258009

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