|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
|
|
chemicalCompound:standardIn... |
IAOQAZIOISGMFF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2nc(sc2c1)c3ccc(Cl)cc3
|
|
chemicalCompound:molecularF... |
C14H10ClNOS
|
|
chemicalCompound:moleculeId |
455323
|
|
chemicalCompound:mwFreebase |
275.753
|
|
chemicalCompound:alogp |
4.486
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
50.36
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.136
|
|
chemicalCompound:acdLogD |
5.136
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
275.753
|
|
chemicalCompound:acdMostBpk... |
1.042
|
|
chemicalCompound:chemblId |
CHEMBL453117
|
|
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 |
|
