Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

GKQ

Summary
Name:~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
Formula:C21 H23 Cl N4 O
Formal charge:0
Formula weight:382.887 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H23ClN4O/c22-18-5-3-4-16(12-18)14-23-21(27)17-6-7-20-19(13-17)24-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11,14H2,(H,23,27)
InChIKeyInChI1.03KDORBCZWJTXUAC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1
SMILESCACTVS3.385Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon