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Summary Geometry Related PDB entries

KP0

Summary

Name:	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
Formula:	C20 H24 Cl N3 O
Formal charge:	0
Formula weight:	357.877 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
OpenEye OEToolkits	2.0.7	1-(3-chlorophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-yl-urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
InChI	InChI	1.06	InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)
InChIKey	InChI	1.06	GCADPMUYKNHGSM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3
SMILES	CACTVS	3.385	Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3cccnc3

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