Bioactive Compound Details

BioIDbio199767
NameMETHYL 2-(2-((3-(3,4-DIMETHYLPHENYL)-1-METHYL-1H-PYRAZOL-5-YLOXY)METHYL)PHENYL)-3-METHOXYACRYLATE
ChEMBL IDCHEMBL2285969
Molecular FormulaC24H26N2O4
Molecular Weight406.48
Molecular Weight (Monoisotopic)406.1893
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(C)c(C)c2)nn1C
InchiInChI=1S/C24H26N2O4/c1-16-10-11-18(12-17(16)2)22-13-23(26(3)25-22)30-14-19-8-6-7-9-20(19)21(15-28-4)24(27)29-5/h6-13,15H,14H2,1-5H3/b21-15+
Inchi KeyAZNQMXBMSUJUKJ-RCCKNPSSSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities12.0
Np Likeness Score-0.56
Records Key['14']
Records Name['methyl 2-(2-((3-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)-3-methoxyacrylate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure