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

WPE

Summary
Name:N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ETHYL}FURAN-2-CARBOXAMIDE
Formula:C22 H20 Cl N3 O2
Formal charge:0
Formula weight:393.866 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-{2-[(4S)-6-chloro-2-methyl-4-phenylquinazolin-3(4H)-yl]ethyl}furan-2-carboxamide
OpenEye OEToolkits1.6.1N-[2-[(4S)-6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl]ethyl]furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NCCN3C(=Nc1ccc(Cl)cc1C3c2ccccc2)C)c4occc4
SMILES_CANONICALCACTVS3.352CC1=Nc2ccc(Cl)cc2[C@@H](N1CCNC(=O)c3occc3)c4ccccc4
SMILESCACTVS3.352CC1=Nc2ccc(Cl)cc2[CH](N1CCNC(=O)c3occc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.6.1CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl
SMILESOpenEye OEToolkits1.6.1CC1=Nc2ccc(cc2C(N1CCNC(=O)c3ccco3)c4ccccc4)Cl
InChIInChI1.03InChI=1S/C22H20ClN3O2/c1-15-25-19-10-9-17(23)14-18(19)21(16-6-3-2-4-7-16)26(15)12-11-24-22(27)20-8-5-13-28-20/h2-10,13-14,21H,11-12H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyInChI1.03IPLMZBHGWQTVKV-NRFANRHFSA-N

220113

PDB entries from 2024-05-22

PDB statisticsPDBj update infoContact PDBjnumon