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Summary Geometry Related PDB entries

K7O

Summary

Name:	(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
Formula:	C18 H17 Cl2 N5
Formal charge:	0
Formula weight:	374.267 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
OpenEye OEToolkits	2.0.7	6,8-bis(chloranyl)-2-[2-(6,7-dimethyl-1~{H}-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc2nc([NH]c2c1C)CCc1nc2c(Cl)cc(Cl)c(C)n2n1
InChI	InChI	1.06	InChI=1S/C18H17Cl2N5/c1-9-4-5-14-17(10(9)2)22-15(21-14)6-7-16-23-18-13(20)8-12(19)11(3)25(18)24-16/h4-5,8H,6-7H2,1-3H3,(H,21,22)
InChIKey	InChI	1.06	BUQSBPCTFGCKNZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc2nc(CCc3nn4c(C)c(Cl)cc(Cl)c4n3)[nH]c2c1C
SMILES	CACTVS	3.385	Cc1ccc2nc(CCc3nn4c(C)c(Cl)cc(Cl)c4n3)[nH]c2c1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1C)[nH]c(n2)CCc3nc4c(cc(c(n4n3)C)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1C)[nH]c(n2)CCc3nc4c(cc(c(n4n3)C)Cl)Cl

222624

PDB entries from 2024-07-17

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