|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10O2S2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
|
|
chemicalCompound:standardIn... |
YYWLHHUMIIIZDH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C(SSC(=O)c1ccccc1)c2ccccc2
|
|
chemicalCompound:molecularF... |
C14 H10 O2 S2
|
|
chemicalCompound:moleculeId |
198971
|
|
chemicalCompound:mwFreebase |
274.358
|
|
chemicalCompound:alogp |
4.282
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
84.74
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.745
|
|
chemicalCompound:acdLogD |
3.745
|
|
chemicalCompound:fullMwt |
274.358
|
|
chemicalCompound:chemblId |
CHEMBL120631
|
|
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 |
|
