|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
|
|
chemicalCompound:standardIn... |
HYKGLCSXVAAXNC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(cc1)c2nc3ccccc3s2
|
|
chemicalCompound:molecularF... |
C15H14N2S
|
|
chemicalCompound:moleculeId |
150530
|
|
chemicalCompound:mwFreebase |
254.35
|
|
chemicalCompound:alogp |
4.001
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
44.37
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.86
|
|
chemicalCompound:acdLogD |
3.86
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
254.35
|
|
chemicalCompound:acdMostBpk... |
2.888
|
|
chemicalCompound:chemblId |
CHEMBL92816
|
|
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:1157966,
activity:1157967,
activity:1157968,
activity:1157969,
activity:1157970,
activity:2391530,
activity:2391531,
activity:2391579,
activity:2391582,
activity:2391637,
activity:6296202,
activity:6296234,
activity:6296260,
activity:6325720,
activity:6325722
|
