|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H16N4OS2/c1-23-17(13-8-10-15(11-9-13)26(2)24)22-16-18(23)20-12-21-19(16)25-14-6-4-3-5-7-14/h3-12H,1-2H3
|
|
chemicalCompound:standardIn... |
HYSJPKDGNVKSFR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[S+]([O-])c1ccc(cc1)c2nc3c(Sc4ccccc4)ncnc3n2C
|
|
chemicalCompound:molecularF... |
C19H16N4OS2
|
|
chemicalCompound:moleculeId |
297669
|
|
chemicalCompound:mwFreebase |
380.487
|
|
chemicalCompound:alogp |
4.302
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
105.18
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
380.487
|
|
chemicalCompound:acdMostBpk... |
0.436
|
|
chemicalCompound:chemblId |
CHEMBL353740
|
|
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:1406365,
activity:1406366,
activity:1406367,
activity:1406368,
activity:1406369,
activity:1406487,
activity:1406488,
activity:1406489,
activity:1406490,
activity:1406491,
activity:1406492,
activity:1406493,
activity:1406494,
activity:1406495,
activity:1406496
|
