Bioactive Compound Details

BioIDbio712
NameISOTRETINOIN ANISATIL
ChEMBL IDCHEMBL2107427
Molecular FormulaC29H36O4
Molecular Weight448.6
Molecular Weight (Monoisotopic)448.2614
TypeSmall molecule
Max PhaseUnknown
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGR 116526X|GR-116526X|GRANACTIVE RETEXTURE C|HYDROXYANASATIL RETINOATE|ISOTRETINOIN ANISATIL
SmilesCOc1ccc(C(=O)COC(=O)/C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)cc1
InchiInChI=1S/C29H36O4/c1-21(12-17-26-23(3)11-8-18-29(26,4)5)9-7-10-22(2)19-28(31)33-20-27(30)24-13-15-25(32-6)16-14-24/h7,9-10,12-17,19H,8,11,18,20H2,1-6H3/b10-7+,17-12+,21-9+,22-19-
Inchi KeyYDBCQZCJDPGBBE-BVYOMHTDSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score1.2
Records Key['ISOTRETINOIN ANISATIL']
Records Name['ISOTRETINOIN ANISATIL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure