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Summary Geometry Related PDB entries

A1EVW

Summary

Name:	5-(8-methoxyimidazo[1,2-a]pyridin-3-yl)-7,7-dimethyl-9-morpholin-4-yl-2,12-dihydrobenzo[b][1,9]phenanthrolin-1-one
Formula:	C30 H29 N5 O3
Formal charge:	0
Formula weight:	507.583 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-(8-methoxyimidazo[1,2-a]pyridin-3-yl)-7,7-dimethyl-9-morpholin-4-yl-2,12-dihydrobenzo[b][1,9]phenanthrolin-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C30H29N5O3/c1-30(2)21-15-18(34-11-13-38-14-12-34)6-7-23(21)33-27-22(30)16-20(19-8-9-31-29(36)26(19)27)24-17-32-28-25(37-3)5-4-10-35(24)28/h4-10,15-17,33H,11-14H2,1-3H3,(H,31,36)
InChIKey	InChI	1.06	RRWSDVYUYHBLSQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccn2c(cnc12)c3cc4c(Nc5ccc(cc5C4(C)C)N6CCOCC6)c7C(=O)NC=Cc37
SMILES	CACTVS	3.385	COc1cccn2c(cnc12)c3cc4c(Nc5ccc(cc5C4(C)C)N6CCOCC6)c7C(=O)NC=Cc37
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1(c2cc(ccc2Nc3c1cc(c4c3C(=O)NC=C4)c5cnc6n5cccc6OC)N7CCOCC7)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(c2cc(ccc2Nc3c1cc(c4c3C(=O)NC=C4)c5cnc6n5cccc6OC)N7CCOCC7)C

259351

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