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Summary

Name:	4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide
Formula:	C19 H12 Cl3 F N4 O3
Formal charge:	0
Formula weight:	469.681 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-chloro-N-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide
OpenEye OEToolkits	1.9.2	4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3nc(nc3C(=O)NCc2ccc(Cl)c(Oc1cc(C#N)cc(Cl)c1)c2F)CO
InChI	InChI	1.03	InChI=1S/C19H12Cl3FN4O3/c20-11-3-9(6-24)4-12(5-11)30-17-13(21)2-1-10(15(17)23)7-25-19(29)16-18(22)27-14(8-28)26-16/h1-5,28H,7-8H2,(H,25,29)(H,26,27)
InChIKey	InChI	1.03	AASNTQJUPFQRBO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCc1[nH]c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)n1
SMILES	CACTVS	3.385	OCc1[nH]c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)c(Cl)n1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)CO)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl

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