Bioactive Compound Details

BioIDbio199106
NameCARABRYL 2-METHYLBENZOATE
ChEMBL IDCHEMBL2229148
Molecular FormulaC23H28O4
Molecular Weight368.47
Molecular Weight (Monoisotopic)368.1988
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC=C1C(=O)O[C@@H]2C[C@]3(C)C(CCC(C)OC(=O)c4ccccc4C)[C@@H]3C[C@H]12
InchiInChI=1S/C23H28O4/c1-13-7-5-6-8-16(13)22(25)26-14(2)9-10-18-19-11-17-15(3)21(24)27-20(17)12-23(18,19)4/h5-8,14,17-20H,3,9-12H2,1-2,4H3/t14?,17-,18?,19+,20-,23-/m1/s1
Inchi KeyWRINTERSPZHLQY-BCHCXDHJSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities1.0
Np Likeness Score1.85
Records Key['II-18']
Records Name['Carabryl 2-Methylbenzoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure