Bioactive Compound Details

BioIDbio1743
NamePACOVATININ C
ChEMBL IDCHEMBL465486
Molecular FormulaC20H28O4
Molecular Weight332.44
Molecular Weight (Monoisotopic)332.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPacovatinin C
SmilesC=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1/CCOC1=O
InchiInChI=1S/C20H28O4/c1-12-14(6-5-13-8-10-24-18(13)23)20(4)9-7-17(22)19(2,3)16(20)11-15(12)21/h5,14-16,21H,1,6-11H2,2-4H3/b13-5-/t14-,15-,16-,20+/m0/s1
Inchi KeyXDMURUTWTFRCDW-HQQVEHBJSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.42
Records Key['3']
Records Name['Pacovatinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure