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Summary

Name:	2-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE
Formula:	C26 H27 N5 O2
Formal charge:	0
Formula weight:	441.525 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(4'-cyano-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}biphenyl-4-yl)oxy]-N-methylacetamide
OpenEye OEToolkits	1.9.2	2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-N-methyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc4ccc(c1c(cc(OCC(=O)NC)cc1)CN3CCN(c2ncccc2)CC3)cc4
InChI	InChI	1.03	InChI=1S/C26H27N5O2/c1-28-26(32)19-33-23-9-10-24(21-7-5-20(17-27)6-8-21)22(16-23)18-30-12-14-31(15-13-30)25-4-2-3-11-29-25/h2-11,16H,12-15,18-19H2,1H3,(H,28,32)
InChIKey	InChI	1.03	MATAFJDAEJJYTE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)COc1ccc(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N
SMILES	CACTVS	3.385	CNC(=O)COc1ccc(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N
SMILES	OpenEye OEToolkits	1.9.2	CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N

246704

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