Bioactive Compound Details

BioIDbio198591
NameNone
ChEMBL IDCHEMBL2071384
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23
Molecular Weight (Monoisotopic)367.9902
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsMethyl N,N'-Bis(2-Chloronicotinoyl)Carbamimidothioate
SmilesCS/C(=N/C(=O)c1cccnc1Cl)NC(=O)c1cccnc1Cl
InchiInChI=1S/C14H10Cl2N4O2S/c1-23-14(19-12(21)8-4-2-6-17-10(8)15)20-13(22)9-5-3-7-18-11(9)16/h2-7H,1H3,(H,19,20,21,22)
Inchi KeyVSYNMAHGZIRBBL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score-1.24
Records Key['1s']
Records Name[methyl N,N'-bis(2-chloronicotinoyl)carbamimidothioate"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure