|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H8ClFO2S/c16-13-9-5-1-4-8-12(9)20-14(13)15(18)19-11-7-3-2-6-10(11)17/h1-8H
|
|
chemicalCompound:standardIn... |
KHCDEYCSQFFTKI-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccccc1OC(=O)c2sc3ccccc3c2Cl
|
|
chemicalCompound:molecularF... |
C15H8ClFO2S
|
|
chemicalCompound:moleculeId |
935788
|
|
chemicalCompound:mwFreebase |
306.739
|
|
chemicalCompound:alogp |
5.285
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
54.54
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.893
|
|
chemicalCompound:acdLogD |
4.893
|
|
chemicalCompound:fullMwt |
306.739
|
|
chemicalCompound:chemblId |
CHEMBL1511904
|
|
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 |
|
