|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H7ClO2S/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5,12-13H
|
|
chemicalCompound:standardIn... |
FNNUQXJUIYAJSL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1O)c2ccc(Cl)s2
|
|
chemicalCompound:molecularF... |
C10H7ClO2S
|
|
chemicalCompound:moleculeId |
470175
|
|
chemicalCompound:mwFreebase |
226.679
|
|
chemicalCompound:alogp |
3.276
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
68.7
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.025
|
|
chemicalCompound:acdLogP |
3.346
|
|
chemicalCompound:acdLogD |
3.33
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
226.679
|
|
chemicalCompound:chemblId |
CHEMBL449079
|
|
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 |
activity:2363692,
activity:2363711,
activity:2363730,
activity:2363758,
activity:2363759,
activity:2363796,
activity:2363797,
activity:2363833,
activity:2363834,
activity:2363871,
activity:2363872,
activity:3245991
|
