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Summary Geometry Related PDB entries

A1LWX

Summary

Name:	2-(3,4-dichlorophenyl)-~{N}-methyl-~{N}-[(1~{R},2~{R})-2-pyrrolidin-1-ylcyclohexyl]ethanamide
Synonyms:	U-50488H
Formula:	C19 H26 Cl2 N2 O
Formal charge:	0
Formula weight:	369.329 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-(3,4-dichlorophenyl)-~{N}-methyl-~{N}-[(1~{R},2~{R})-2-pyrrolidin-1-ylcyclohexyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
InChIKey	InChI	1.06	VQLPLYSROCPWFF-QZTJIDSGSA-N
SMILES_CANONICAL	CACTVS	3.385	CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3
SMILES	CACTVS	3.385	CN([CH]1CCCC[CH]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	CN(C1CCCCC1N2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl

247536

PDB entries from 2026-01-14

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