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Summary Geometry Related PDB entries

QLC

Summary

Name:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
Formula:	C20 H18 Cl2 N2 O3
Formal charge:	0
Formula weight:	405.275 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(3,4-dichlorophenyl)-~{N}-isoquinolin-4-yl-2-(2-methoxyethoxy)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21
InChI	InChI	1.06	InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
InChIKey	InChI	1.06	NBMMVUFIILVGST-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCO[C@@H](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3
SMILES	CACTVS	3.385	COCCO[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COCCO[C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3
SMILES	OpenEye OEToolkits	2.0.7	COCCOC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3

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