Bioactive Compound Details

BioIDbio171
NameNone
ChEMBL IDCHEMBL265469
Molecular FormulaC19H18Cl3N3O2S
Molecular Weight458.8
Molecular Weight (Monoisotopic)457.0185
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsC-6131864
SmilesCC(=O)c1ccc(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
InchiInChI=1S/C19H18Cl3N3O2S/c1-12(26)14-7-9-15(10-8-14)23-18(28)25-17(19(20,21)22)24-16(27)11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,24,27)(H2,23,25,28)
Inchi KeyXDJFIKWBKYTBRW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score-1.38
Records Key['5, C-6131864']
Records Name['1-(4-acetylphenyl)-3-(2,2,2-trichloro-1-(2-phenylacetamido)ethyl)thiourea']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure