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Summary Geometry Related PDB entries

A1BYX

Summary

Name:	(3R)-3-{2-chloro-4'-[(1-methyl-1H-pyrazol-3-yl)methoxy][1,1'-biphenyl]-3-yl}piperidine-2,6-dione
Formula:	C22 H20 Cl N3 O3
Formal charge:	0
Formula weight:	409.866 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(3R)-3-{2-chloro-4'-[(1-methyl-1H-pyrazol-3-yl)methoxy][1,1'-biphenyl]-3-yl}piperidine-2,6-dione
OpenEye OEToolkits	3.1.0.0	(3~{R})-3-[2-chloranyl-3-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]phenyl]piperidine-2,6-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cn1ccc(COc2ccc(cc2)c2cccc(C3CCC(=O)NC3=O)c2Cl)n1
InChI	InChI	1.06	InChI=1S/C22H20ClN3O3/c1-26-12-11-15(25-26)13-29-16-7-5-14(6-8-16)17-3-2-4-18(21(17)23)19-9-10-20(27)24-22(19)28/h2-8,11-12,19H,9-10,13H2,1H3,(H,24,27,28)/t19-/m1/s1
InChIKey	InChI	1.06	ATFVRCNMKWLFKW-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ccc(COc2ccc(cc2)c3cccc([C@H]4CCC(=O)NC4=O)c3Cl)n1
SMILES	CACTVS	3.385	Cn1ccc(COc2ccc(cc2)c3cccc([CH]4CCC(=O)NC4=O)c3Cl)n1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1ccc(n1)COc2ccc(cc2)c3cccc(c3Cl)[C@H]4CCC(=O)NC4=O
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1ccc(n1)COc2ccc(cc2)c3cccc(c3Cl)C4CCC(=O)NC4=O

248942

PDB entries from 2026-02-11

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