Bioactive Compound Details

BioIDbio1308
NameSQUAFOSACIN C
ChEMBL IDCHEMBL451622
Molecular FormulaC35H64O6
Molecular Weight580.89
Molecular Weight (Monoisotopic)580.4703
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymssquafosacin C
SmilesCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(O)CCCCCCCCC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C35H64O6/c1-3-4-5-6-7-8-13-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-12-10-9-11-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30?,31+,32+,33+,34+/m0/s1
Inchi KeyGVOIUHBESPKKAN-GCIOFLGLSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.75
Records Key['2']
Records Name['squafosacin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure