|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8N2O2S/c1-2-10-11(16-7-15-10)5-8(1)9-6-14-3-4-17-12(14)13-9/h1-6H,7H2
|
|
chemicalCompound:standardIn... |
HYXXORLKYUZUGN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1Oc2ccc(cc2O1)c3cn4ccsc4n3
|
|
chemicalCompound:molecularF... |
C12H8N2O2S
|
|
chemicalCompound:moleculeId |
900941
|
|
chemicalCompound:mwFreebase |
244.269
|
|
chemicalCompound:alogp |
2.016
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.316
|
|
chemicalCompound:acdLogD |
3.294
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
244.269
|
|
chemicalCompound:acdMostBpk... |
6.125
|
|
chemicalCompound:chemblId |
CHEMBL1477057
|
|
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:3696038,
activity:3773944,
activity:3802931,
activity:3832949,
activity:3873022,
activity:3904927,
activity:3953846,
activity:4009223,
activity:4130037,
activity:4280375,
activity:4358958,
activity:4412211,
activity:4443948,
activity:4531947,
activity:4732036,
activity:4738128,
activity:4799747,
activity:4813532,
activity:4821129,
activity:4846644,
activity:4857986,
activity:4974624,
activity:5409320,
activity:5540593,
activity:5652298,
activity:5789583,
activity:5873105,
activity:6427064,
activity:6716415,
activity:6737248,
activity:6789693,
activity:6862493,
activity:7033670,
activity:7169073,
activity:7366480,
activity:7414330,
activity:7508672,
activity:9351356,
activity:9758340,
activity:9791438,
activity:10426790,
activity:10433534,
activity:10634277
|
