|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11FN2O2S/c1-2-17-12-9(15)5-3-7-11(12)20-14(17)16-13(18)10-6-4-8-19-10/h3-8H,2H2,1H3/b16-14-
|
|
chemicalCompound:standardIn... |
HSJJUDNCSVDULB-PEZBUJJGSA-N
|
|
chemicalCompound:canonicalS... |
CCN1\C(=N\C(=O)c2occc2)\Sc3cccc(F)c13
|
|
chemicalCompound:molecularF... |
C14H11FN2O2S
|
|
chemicalCompound:moleculeId |
1319625
|
|
chemicalCompound:mwFreebase |
290.313
|
|
chemicalCompound:alogp |
3.762
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
71.11
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.967
|
|
chemicalCompound:acdLogD |
3.967
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
290.313
|
|
chemicalCompound:chemblId |
CHEMBL1998334
|
|
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:3735285,
activity:3833235,
activity:3902585,
activity:4056856,
activity:4103328,
activity:4186375,
activity:4275477,
activity:4682199,
activity:4928411,
activity:4959776,
activity:5484221,
activity:5689122,
activity:5954409,
activity:6663061,
activity:6826520,
activity:7059010,
activity:7285976,
activity:7391516,
activity:10608331
|
