Bioactive Compound Details

BioIDbio1548
NameSPONGIADIOXIN C METHYL ETHER
ChEMBL IDCHEMBL502363
Molecular FormulaC13H7Br3O3
Molecular Weight450.91
Molecular Weight (Monoisotopic)447.7945
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsspongiadioxin C methyl ether
SmilesCOc1cc(Br)cc2c1Oc1cc(Br)cc(Br)c1O2
InchiInChI=1S/C13H7Br3O3/c1-17-9-3-7(15)5-11-13(9)19-10-4-6(14)2-8(16)12(10)18-11/h2-5H,1H3
Inchi KeyISKZNWAHDOTSGW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.6
Records Key['2']
Records Name['spongiadioxin C methyl ether']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure