Bioactive Compound Details

BioIDbio1784
NameNone
ChEMBL IDCHEMBL436835
Molecular FormulaC29H28N2O4
Molecular Weight468.55
Molecular Weight (Monoisotopic)468.2049
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms18-Demethylparaensidimerin C
SmilesCn1c(=O)c2c(c3ccccc31)O[C@]1(C)C[C@@H]3c4c(c5ccccc5[nH]c4=O)OC(C)(C)[C@H]3[C@H]2C1
InchiInChI=1S/C29H28N2O4/c1-28(2)23-17(21-24(34-28)15-9-5-7-11-19(15)30-26(21)32)13-29(3)14-18(23)22-25(35-29)16-10-6-8-12-20(16)31(4)27(22)33/h5-12,17-18,23H,13-14H2,1-4H3,(H,30,32)/t17-,18+,23-,29-/m1/s1
Inchi KeyTWTOZAQFMDPSKK-LCAWQGBYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.1
Records Key['5']
Records Name['18-demethylparaensidimerin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure