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

7AH

Summary
Name:2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide
Formula:C21 H22 F N3 O
Formal charge:0
Formula weight:351.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-fluorophenyl)-N-[3-(piperidin-4-yl)-1H-indol-5-yl]acetamide
OpenEye OEToolkits1.7.62-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)CC(=O)Nc2ccc3ncc(c3c2)C4CCNCC4
InChIInChI1.03InChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26)
InChIKeyInChI1.03UQJDOYKPKPJIFW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(CC(=O)Nc2ccc3[nH]cc(C4CCNCC4)c3c2)cc1
SMILESCACTVS3.385Fc1ccc(CC(=O)Nc2ccc3[nH]cc(C4CCNCC4)c3c2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F

222624

數據於2024-07-17公開中

PDB statisticsPDBj update infoContact PDBjnumon