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Summary Geometry Related PDB entries

9ZS

Summary

Name:	N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
Formula:	C16 H12 Cl2 N4 O
Formal charge:	0
Formula weight:	347.199 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
OpenEye OEToolkits	2.0.6	~{N}-[2-[2,6-bis(chloranyl)phenyl]-1~{H}-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(cccc1Cl)Cl)c4nc3c(ccnc3NC(C2CC2)=O)n4
InChI	InChI	1.03	InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)12(9)14-20-11-6-7-19-15(13(11)21-14)22-16(23)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)(H,19,22,23)
InChIKey	InChI	1.03	OFPQQEBBZKPLFE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2
SMILES	CACTVS	3.385	Clc1cccc(Cl)c1c2[nH]c3ccnc(NC(=O)C4CC4)c3n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl

219515

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