Bioactive Compound Details

BioIDbio1740
NameCOMPLANADINES C
ChEMBL IDCHEMBL388789
Molecular FormulaC32H42N2O3
Molecular Weight502.7
Molecular Weight (Monoisotopic)502.3195
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsComplanadines C
SmilesC[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4C=C(C5=C[C@@H]6[C@@H]7CC(=O)[C@H]8CCCN(C5=O)[C@@]86C[C@H](C)C7)C[C@H]2[C@]34C1
InchiInChI=1S/C32H42N2O3/c1-18-9-20-12-28(35)24-5-3-7-33-17-22(11-26(20)31(24,33)15-18)23-14-27-21-10-19(2)16-32(27)25(29(36)13-21)6-4-8-34(32)30(23)37/h14,17-21,24-27H,3-13,15-16H2,1-2H3/t18-,19-,20+,21+,24-,25-,26-,27-,31+,32+/m1/s1
Inchi KeyWIKLMEPVJASSRU-YSXVRAOPSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.01
Records Key['1']
Records Name['complanadines C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure