|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H9ClFNOS/c1-18-12-4-2-8(6-10(12)15)14-17-11-7-9(16)3-5-13(11)19-14/h2-7H,1H3
|
|
chemicalCompound:standardIn... |
ZPVGEQYPAMUXGB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1Cl)c2nc3cc(F)ccc3s2
|
|
chemicalCompound:molecularF... |
C14 H9 Cl F N O S
|
|
chemicalCompound:moleculeId |
335569
|
|
chemicalCompound:mwFreebase |
293.744
|
|
chemicalCompound:alogp |
4.692
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
50.36
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.946
|
|
chemicalCompound:acdLogD |
4.946
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
293.744
|
|
chemicalCompound:acdMostBpk... |
0.518
|
|
chemicalCompound:chemblId |
CHEMBL201700
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:activity |
|
