Bioactive Compound Details

BioIDbio1016
NameAERUCYCLAMIDE C
ChEMBL IDCHEMBL575440
Molecular FormulaC24H32N6O5S
Molecular Weight516.62
Molecular Weight (Monoisotopic)516.2155
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAerucyclamide C
SmilesCC[C@H](C)[C@H]1NC(=O)c2coc(n2)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C)NC(=O)c2csc1n2
InchiInChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
Inchi KeyMQIAICAGVFTAAN-ZIYJYRAWSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score1.77
Records Key['6']
Records Name['Aerucyclamide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure