English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

R73

Summary

Name:	~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C19 H15 F3 N6 O
Formal charge:	0
Formula weight:	400.357 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H15F3N6O/c1-10-24-15-8-11(12-6-7-23-27-12)14(9-16(15)28(10)2)26-18(29)13-4-3-5-17(25-13)19(20,21)22/h3-9H,1-2H3,(H,23,27)(H,26,29)
InChIKey	InChI	1.06	XYHNIXWLZJJZRG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1c(C)nc2cc(c3[nH]ncc3)c(NC(=O)c4cccc(n4)C(F)(F)F)cc12
SMILES	CACTVS	3.385	Cn1c(C)nc2cc(c3[nH]ncc3)c(NC(=O)c4cccc(n4)C(F)(F)F)cc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)c4ccn[nH]4
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2cc(c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)c4ccn[nH]4

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon