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Summary Geometry Related PDB entries

A1MBF

Summary

Name:	6-chloranyl-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C28 H26 Cl F3 N4 O2
Formal charge:	0
Formula weight:	542.98 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-chloranyl-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C28H26ClF3N4O2/c1-18-26(36-17-22(29)6-11-25(36)34-18)27(37)33-16-19-2-7-23(8-3-19)35-14-12-21(13-15-35)20-4-9-24(10-5-20)38-28(30,31)32/h2-11,17,21H,12-16H2,1H3,(H,33,37)
InChIKey	InChI	1.06	ICLWGJMCVSNRMR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5
SMILES	CACTVS	3.385	Cc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F

255900

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