|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H17FN2O5S/c1-4-27-18(25)15-10(2)21-19-22(14(23)9-13(28-19)17(24)26-3)16(15)11-5-7-12(20)8-6-11/h5-9,16H,4H2,1-3H3
|
|
chemicalCompound:standardIn... |
HAGMYIYXKZBRNN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)C1=C(C)N=C2SC(=CC(=O)N2C1c3ccc(F)cc3)C(=O)OC
|
|
chemicalCompound:molecularF... |
C19H17FN2O5S
|
|
chemicalCompound:moleculeId |
791656
|
|
chemicalCompound:mwFreebase |
404.412
|
|
chemicalCompound:alogp |
2.995
|
|
chemicalCompound:hba |
7
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
110.57
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.93
|
|
chemicalCompound:acdLogD |
3.93
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
404.412
|
|
chemicalCompound:chemblId |
CHEMBL1367772
|
|
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:3656467,
activity:3753986,
activity:3993355,
activity:4065927,
activity:4266430,
activity:4397115,
activity:4441511,
activity:4489247,
activity:4933205,
activity:5051836,
activity:5329765,
activity:5356731,
activity:5406218,
activity:5616738,
activity:5654042,
activity:5827134,
activity:5987596,
activity:6010651,
activity:6064911,
activity:6068032,
activity:6070763,
activity:6432296,
activity:6676332,
activity:6788282,
activity:6925782,
activity:7010246,
activity:7028706,
activity:7039079,
activity:7090420,
activity:7201955,
activity:7213785,
activity:9791456,
activity:9987450,
activity:10426802,
activity:10433552
|
