Bioactive Compound Details

BioIDbio604
NameROQUEFORTINE C
ChEMBL IDCHEMBL517788
Molecular FormulaC22H23N5O2
Molecular Weight389.46
Molecular Weight (Monoisotopic)389.1852
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRoquefortine C
SmilesC=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4c[nH]cn4)C(=O)N3[C@@H]1Nc1ccccc12
InchiInChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1
Inchi KeySPWSUFUPTSJWNG-JJUKSXGLSA-N
Molecular SpeciesNEUTRAL
Targets11.0
Bioactivities15.0
Np Likeness Score1.69
Records Key['1', '2; Roq C', 'Roquefortin C']
Records Name['roquefortine C', 'Roquefortine C', 'Roquefortin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure