Bioactive Compound Details

BioIDbio199223
NameCARABRYL 2-METHOXYBENZOATE
ChEMBL IDCHEMBL2229149
Molecular FormulaC23H28O5
Molecular Weight384.47
Molecular Weight (Monoisotopic)384.1937
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC=C1C(=O)O[C@@H]2C[C@]3(C)C(CCC(C)OC(=O)c4ccccc4OC)[C@@H]3C[C@H]12
InchiInChI=1S/C23H28O5/c1-13(27-22(25)15-7-5-6-8-19(15)26-4)9-10-17-18-11-16-14(2)21(24)28-20(16)12-23(17,18)3/h5-8,13,16-18,20H,2,9-12H2,1,3-4H3/t13?,16-,17?,18+,20-,23-/m1/s1
Inchi KeyVHKPUROPLTVANG-BVGDZRRESA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.89
Records Key['II-19']
Records Name['Carabryl 2-Methoxybenzoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure