Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

IFY

Summary
Name:2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
Formula:C21 H20 N4
Formal charge:0
Formula weight:328.41 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
OpenEye OEToolkits2.0.72-methyl-3-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]quinoxaline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn1cc(nc1CCc1nc2ccccc2nc1C)c1ccccc1
InChIInChI1.03InChI=1S/C21H20N4/c1-15-17(23-19-11-7-6-10-18(19)22-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyInChI1.03UAOCQIAPVSVHRD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4
SMILESCACTVS3.385Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4

223790

PDB entries from 2024-08-14

PDB statisticsPDBj update infoContact PDBjnumon