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

3G9

Summary
Name:1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
Formula:C19 H19 Cl N2 O2
Formal charge:0
Formula weight:342.819 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone
OpenEye OEToolkits1.9.21-[4-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cccc(Cl)c1)N3CCN(c2ccc(C(=O)C)cc2)CC3
InChIInChI1.03InChI=1S/C19H19ClN2O2/c1-14(23)15-5-7-18(8-6-15)21-9-11-22(12-10-21)19(24)16-3-2-4-17(20)13-16/h2-8,13H,9-12H2,1H3
InChIKeyInChI1.03RCHDWCNBGCYJNK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(Cl)c3
SMILESCACTVS3.385CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl
SMILESOpenEye OEToolkits1.9.2CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl

223532

건을2024-08-07부터공개중

PDB statisticsPDBj update infoContact PDBjnumon