Bioactive Compound Details

BioIDbio199764
NameCARABRYL 2-IODOBENZOATE
ChEMBL IDCHEMBL2229145
Molecular FormulaC22H25IO4
Molecular Weight480.34
Molecular Weight (Monoisotopic)480.0798
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC=C1C(=O)O[C@@H]2C[C@]3(C)C(CCC(C)OC(=O)c4ccccc4I)[C@@H]3C[C@H]12
InchiInChI=1S/C22H25IO4/c1-12(26-21(25)14-6-4-5-7-18(14)23)8-9-16-17-10-15-13(2)20(24)27-19(15)11-22(16,17)3/h4-7,12,15-17,19H,2,8-11H2,1,3H3/t12?,15-,16?,17+,19-,22-/m1/s1
Inchi KeyWQWKKONSXCGDFN-YWJIQLPRSA-N
Molecular SpeciesNone
Targets1.0
Bioactivities1.0
Np Likeness Score1.8
Records Key['II-15']
Records Name['Carabryl 2-Iodobenzoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure