Bioactive Compound Details

BioIDbio946
NameLECANINDOLE C
ChEMBL IDCHEMBL1086869
Molecular FormulaC30H39NO7
Molecular Weight525.64
Molecular Weight (Monoisotopic)525.2727
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLecanindole C
SmilesCO[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccc3c4c([nH]c3c2)[C@@]2(C)[C@@H](CC[C@H]3C(C)(C)C(=O)C=C[C@@]32C)C4)O[C@@H]1CO
InchiInChI=1S/C30H39NO7/c1-28(2)21-9-6-15-12-18-17-8-7-16(37-27-24(35)23(34)25(36-5)20(14-32)38-27)13-19(17)31-26(18)30(15,4)29(21,3)11-10-22(28)33/h7-8,10-11,13,15,20-21,23-25,27,31-32,34-35H,6,9,12,14H2,1-5H3/t15-,20+,21-,23+,24+,25+,27+,29-,30+/m0/s1
Inchi KeyQGZCRYRTSBNQGS-MQWGIPAISA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.6
Records Key['3']
Records Name['Lecanindole C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure