Bioactive Compound Details

BioIDbio1768
NameBENGAZOLE C
ChEMBL IDCHEMBL483620
Molecular FormulaC26H42N2O8
Molecular Weight510.63
Molecular Weight (Monoisotopic)510.2941
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBengazole C
SmilesCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1
InchiInChI=1S/C26H42N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-23(32)36-25(22-15-27-17-35-22)26-28-19(16-34-26)20(30)14-21(31)24(33)18(2)29/h15-18,20-21,24-25,29-31,33H,3-14H2,1-2H3/t18-,20+,21-,24+,25+/m1/s1
Inchi KeyYOIVNBDPUVQHEX-WPQWVOAUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.28
Records Key['4']
Records Name['bengazole C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure