Bioactive Compound Details

BioIDbio198546
NameN-DESALKYL-2-OXOQUAZEPAM
ChEMBL IDCHEMBL974
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71
Molecular Weight (Monoisotopic)288.0466
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsN-Desalkyl-2-Oxoquazepam|Ro-05-3367
SmilesO=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1
InchiInChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
Inchi KeyUVCOILFBWYKHHB-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets16.0
Bioactivities31.0
Np Likeness Score-0.77
Records Key['8 (table I)', '5', '41', 'SID11532971', 'Ro-053367', '7b', 'SID56423117', '7', '37']
Records Name['7-Chloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Chloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-Chloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one', 'SID11532971', '7-Chloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-chloro-5-(2-fluorophenyl)-1H-benzo[e][1,4]diazepin-2(3H)-one', 'SID56423117', '7-Chloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one', '7-chloro-5-(2-fluorophenyl)-1H-benzo[e][1,4]diazepin-2(3H)-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure