Bioactive Compound Details

BioIDbio1508
NameRHABDASTIN C
ChEMBL IDCHEMBL1224726
Molecular FormulaC24H34O7
Molecular Weight434.53
Molecular Weight (Monoisotopic)434.2305
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRhabdastin C
SmilesCOC(=O)/C(C)=C1\C(=O)C[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)[C@](C)(C(=O)OC)[C@@H]3CC[C@]12C
InchiInChI=1S/C24H34O7/c1-13(20(27)29-6)19-15(26)12-17-22(3)11-9-18(31-14(2)25)24(5,21(28)30-7)16(22)8-10-23(17,19)4/h16-18H,8-12H2,1-7H3/b19-13+/t16-,17+,18+,22+,23+,24-/m1/s1
Inchi KeyKLEWOBKRIMWWDD-QLORXJPOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.72
Records Key['3']
Records Name['Rhabdastin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure