Bioactive Compound Details

BioIDbio200204
NameNone
ChEMBL IDCHEMBL577918
Molecular FormulaC15H19NO3
Molecular Weight261.32
Molecular Weight (Monoisotopic)261.1365
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms(1R,2S)-2-(Benzylcarbamoyl)Cyclohexanecarboxylic Acid
SmilesO=C(NCc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O
InchiInChI=1S/C15H19NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-3,6-7,12-13H,4-5,8-10H2,(H,16,17)(H,18,19)/t12-,13+/m0/s1
Inchi KeyNCAZRKFIGJVHLN-QWHCGFSZSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score-0.64
Records Key['4i']
Records Name['(1R,2S)-2-(benzylcarbamoyl)cyclohexanecarboxylic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure