Bioactive Compound Details

BioIDbio40
NameNone
ChEMBL IDCHEMBL1765968
Molecular FormulaC27H32F6O7
Molecular Weight582.53
Molecular Weight (Monoisotopic)582.2052
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms12O,18O-Ditrifluoroacetylrabdokunmin C 7O,14O-Acetonide
SmilesC=C1C(=O)[C@@]23[C@@H]4OC(C)(C)O[C@@H]2C[C@@H]2[C@@](C)(COC(=O)C(F)(F)F)CCC[C@@]2(C)[C@@H]3C[C@H](OC(=O)C(F)(F)F)[C@@H]14
InchiInChI=1S/C27H32F6O7/c1-12-17-13(38-21(36)27(31,32)33)9-15-24(5)8-6-7-23(4,11-37-20(35)26(28,29)30)14(24)10-16-25(15,18(12)34)19(17)40-22(2,3)39-16/h13-17,19H,1,6-11H2,2-5H3/t13-,14+,15-,16+,17+,19+,23+,24+,25-/m0/s1
Inchi KeyUVRREMRLQZMYRY-LMYUPCGHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.23
Records Key['3']
Records Name['12o,18o-ditrifluoroacetylrabdokunmin C 7o,14o-acetonide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure