Bioactive Compound Details

BioIDbio651
NameC-posaconazole
ChEMBL IDCHEMBL1908108
Molecular FormulaC37H42F2N8O4
Molecular Weight702.78
Molecular Weight (Monoisotopic)700.3297
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-posaconazole
SmilesCC[C@@H]([C@H](C)O)n1n[14cH]n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O
InchiInChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1/i25+2
Inchi KeyRAGOYPUPXAKGKH-RMNHMKCFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score-0.62
Records Key['C-posaconazole']
Records Name['C-posaconazole']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure