Bioactive Compound Details

BioIDbio685
NameCARTERIOSULFONIC ACID C
ChEMBL IDCHEMBL1077380
Molecular FormulaC34H65NO10S
Molecular Weight679.96
Molecular Weight (Monoisotopic)679.4329
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCarteriosulfonic Acid C
SmilesCCCCC/C=C/C(O)CCCCCCCCCCCCCC(=O)OC(C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O
InchiInChI=1S/C34H65NO10S/c1-3-4-5-13-16-19-29(36)20-17-14-11-9-7-6-8-10-12-15-18-21-34(41)45-28(2)26-31(38)32(39)27-30(37)22-23-33(40)35-24-25-46(42,43)44/h16,19,28-32,36-39H,3-15,17-18,20-27H2,1-2H3,(H,35,40)(H,42,43,44)/b19-16+/t28?,29?,30-,31+,32-/m1/s1
Inchi KeyLCMJGVARRXLCMN-SWWCHEGGSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.89
Records Key['3']
Records Name['Carteriosulfonic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure