|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H19N3O2S2/c1-12-8-10-15(11-9-12)25(22,23)21-20-14(3)18-13(2)19-16-6-4-5-7-17(16)24-18/h4-11,19,21H,1-3H3/b20-14+
|
|
chemicalCompound:standardIn... |
WTJKYCKRAZEKJR-XSFVSMFZSA-N
|
|
chemicalCompound:canonicalS... |
C\C(=N/NS(=O)(=O)c1ccc(C)cc1)\C2=C(C)Nc3ccccc3S2
|
|
chemicalCompound:molecularF... |
C18H19N3O2S2
|
|
chemicalCompound:moleculeId |
1288840
|
|
chemicalCompound:mwFreebase |
373.492
|
|
chemicalCompound:alogp |
3.158
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
104.24
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
9.588
|
|
chemicalCompound:acdLogP |
4.793
|
|
chemicalCompound:acdLogD |
4.762
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
373.492
|
|
chemicalCompound:acdMostBpk... |
6.246
|
|
chemicalCompound:chemblId |
CHEMBL1967549
|
|
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:8285285,
activity:8335176,
activity:8350333,
activity:8369286,
activity:8385068,
activity:8471050,
activity:8540334,
activity:8555800,
activity:8632364,
activity:8692636,
activity:8708587,
activity:8732658,
activity:8739515,
activity:8841007,
activity:8892656,
activity:8939313,
activity:9006548,
activity:9035947,
activity:9056151,
activity:9125959,
activity:9132631,
activity:9181918,
activity:9224308,
activity:9252632,
activity:9263375,
activity:9325455,
activity:9399237,
activity:9401865,
activity:9474185,
activity:9485204,
activity:9654040,
activity:9660504,
activity:9736648,
activity:9751580,
activity:9826047,
activity:9856873,
activity:9898297,
activity:9928393,
activity:9960988,
activity:10052737,
activity:10114251,
activity:10115589,
activity:10137106,
activity:10219156,
activity:10248291,
activity:10291717,
activity:10333766,
activity:10408508,
activity:10465431,
activity:10519330,
activity:10529250,
activity:10561227,
activity:10637313,
activity:10651929,
activity:10694141,
activity:10735656,
activity:10758526,
activity:10822684
|
