Bioactive Compound Details

BioIDbio199627
NameNone
ChEMBL IDCHEMBL2047939
Molecular FormulaC12H12Cl2O3
Molecular Weight275.13
Molecular Weight (Monoisotopic)274.0163
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsEthyl 2-((2,4-Dichlorophenyl)(Hydroxy)Methyl)Acrylate
SmilesC=C(C(=O)OCC)C(O)c1ccc(Cl)cc1Cl
InchiInChI=1S/C12H12Cl2O3/c1-3-17-12(16)7(2)11(15)9-5-4-8(13)6-10(9)14/h4-6,11,15H,2-3H2,1H3
Inchi KeyVCOVRIRJUVQYAG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities14.0
Np Likeness Score-0.21
Records Key['2', '102', '16']
Records Name['ethyl 2-((2,4-dichlorophenyl)(hydroxy)methyl)acrylate', 'ethyl 2-((2,4-dichlorophenyl)(hydroxy)methyl)acrylate', 'Ethyl 2-((2,4-Dichlorophenyl)(hydroxy)methyl)acrylate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure