Bioactive Compound Details

BioIDbio197376
NameNone
ChEMBL IDCHEMBL230359
Molecular FormulaC15H19N3O2S
Molecular Weight305.4
Molecular Weight (Monoisotopic)305.1198
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(4-Cyclohexylthiosemicarbazono)Methylbenzoic Acid
SmilesO=C(O)c1ccccc1/C=N/NC(=S)NC1CCCCC1
InchiInChI=1S/C15H19N3O2S/c19-14(20)13-9-5-4-6-11(13)10-16-18-15(21)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H,19,20)(H2,17,18,21)/b16-10+
Inchi KeyLGTLHOQDPTVIPZ-MHWRWJLKSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities8.0
Np Likeness Score-1.46
Records Key['SID26660845', '2']
Records Name['SID26660845', '2-(4-cyclohexylthiosemicarbazono)methylbenzoic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure