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Summary Geometry Related PDB entries

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Summary

Name:	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile
Formula:	C25 H20 N4 O2
Formal charge:	0
Formula weight:	408.452 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
InChIKey	InChI	1.06	FWRFPHJSGLYXTD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N
SMILES	CACTVS	3.385	O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1C#N)c2cnc3n2cc(cc3)c4ccc(cc4)C(=O)N5CCOCC5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C#N)c2cnc3n2cc(cc3)c4ccc(cc4)C(=O)N5CCOCC5

250835

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