|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H10N2S/c1-7-12-10(11)9(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3
|
|
chemicalCompound:standardIn... |
HGQCFPLZGCHBBY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1nc(N)c(s1)c2ccccc2
|
|
chemicalCompound:molecularF... |
C10H10N2S
|
|
chemicalCompound:moleculeId |
1311469
|
|
chemicalCompound:mwFreebase |
190.265
|
|
chemicalCompound:alogp |
2.148
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
67.14
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.285
|
|
chemicalCompound:acdLogD |
3.285
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
190.265
|
|
chemicalCompound:acdMostBpk... |
3.616
|
|
chemicalCompound:chemblId |
CHEMBL1990178
|
|
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:8294103,
activity:8344088,
activity:8359238,
activity:8373923,
activity:8389641,
activity:8475661,
activity:8549282,
activity:8560484,
activity:8641277,
activity:8697248,
activity:8717290,
activity:8741503,
activity:8748377,
activity:8845725,
activity:8876706,
activity:8901561,
activity:8940448,
activity:9044891,
activity:9056303,
activity:9130517,
activity:9141416,
activity:9161479,
activity:9186311,
activity:9261396,
activity:9272109,
activity:9330074,
activity:9349625,
activity:9403857,
activity:9410650,
activity:9482852,
activity:9489750,
activity:9662439,
activity:9664636,
activity:9741244,
activity:9760347,
activity:9834443,
activity:9865636,
activity:9907065,
activity:9937147,
activity:9969729,
activity:10049426,
activity:10052902,
activity:10055110,
activity:10141730,
activity:10227913,
activity:10257061,
activity:10300311,
activity:10342469,
activity:10401197,
activity:10417092,
activity:10467768,
activity:10523618,
activity:10565696,
activity:10584972,
activity:10645880,
activity:10656409,
activity:10673908,
activity:10702896,
activity:10767238,
activity:10823634
|
