Bioactive Compound Details

BioIDbio1169
NameNone
ChEMBL IDCHEMBL406556
Molecular FormulaC16H20Cl3N3O3S
Molecular Weight440.78
Molecular Weight (Monoisotopic)439.0291
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-6131416
SmilesCCCCOC(=O)c1ccc(NC(=S)NC(NC(C)=O)C(Cl)(Cl)Cl)cc1
InchiInChI=1S/C16H20Cl3N3O3S/c1-3-4-9-25-13(24)11-5-7-12(8-6-11)21-15(26)22-14(16(17,18)19)20-10(2)23/h5-8,14H,3-4,9H2,1-2H3,(H,20,23)(H2,21,22,26)
Inchi KeyXLJJRNYNLRQETM-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score-1.15
Records Key['7, C-6131416']
Records Name['butyl 4-(3-(1-acetamido-2,2,2-trichloroethyl)thioureido)benzoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure