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Summary Geometry Related PDB entries

A1KCT

Summary

Name:	2-methoxy-3-(3-methylimidazo[4,5-c]pyridin-7-yl)-8-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-amine
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	2-methoxy-3-(3-methylimidazo[4,5-c]pyridin-7-yl)-8-(4-morpholin-4-ylphenyl)-1,6-naphthyridin-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H25N7O2/c1-32-15-30-24-21(12-28-14-22(24)32)18-11-19-23(31-26(18)34-2)20(13-29-25(19)27)16-3-5-17(6-4-16)33-7-9-35-10-8-33/h3-6,11-15H,7-10H2,1-2H3,(H2,27,29)
InChIKey	InChI	1.06	NYIOARBRERATPN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1nc2c(cc1c3cncc4n(C)cnc34)c(N)ncc2c5ccc(cc5)N6CCOCC6
SMILES	CACTVS	3.385	COc1nc2c(cc1c3cncc4n(C)cnc34)c(N)ncc2c5ccc(cc5)N6CCOCC6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cnc2c1cncc2c3cc4c(c(cnc4N)c5ccc(cc5)N6CCOCC6)nc3OC
SMILES	OpenEye OEToolkits	2.0.7	Cn1cnc2c1cncc2c3cc4c(c(cnc4N)c5ccc(cc5)N6CCOCC6)nc3OC

258009

PDB entries from 2026-08-12

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