Bioactive Compound Details

BioIDbio74
NameCARBAMIDOCYCLOPHANE C
ChEMBL IDCHEMBL376091
Molecular FormulaC38H56Cl2N2O8
Molecular Weight739.78
Molecular Weight (Monoisotopic)738.3414
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCarbamidocyclophane C
SmilesCCCCC1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)C(CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
InchiInChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
Inchi KeyGTNWJJTZQLWLEN-BSSQUUOISA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score0.97
Records Key['3']
Records Name['carbamidocyclophane C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure