|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10FNO2S/c1-18-12-6-8(2-4-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3
|
|
chemicalCompound:standardIn... |
DWQHMGWMXJKJSQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(ccc1O)c2nc3cc(F)ccc3s2
|
|
chemicalCompound:molecularF... |
C14 H10 F N O2 S
|
|
chemicalCompound:moleculeId |
335614
|
|
chemicalCompound:mwFreebase |
275.298
|
|
chemicalCompound:alogp |
3.785
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
70.59
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.384
|
|
chemicalCompound:acdLogP |
3.616
|
|
chemicalCompound:acdLogD |
3.549
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
275.298
|
|
chemicalCompound:acdMostBpk... |
0.164
|
|
chemicalCompound:chemblId |
CHEMBL199613
|
|
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:1667944,
activity:1667945,
activity:1667946,
activity:1667947,
activity:8236918,
activity:8266446,
activity:8301294,
activity:8357932,
activity:8391746,
activity:8484770,
activity:8567671,
activity:8569751,
activity:8630217,
activity:8650520,
activity:8710790,
activity:8721900,
activity:8755062,
activity:8762139,
activity:8798525,
activity:8886018,
activity:8915449,
activity:8954031,
activity:9012471,
activity:9058676,
activity:9084317,
activity:9134983,
activity:9170817,
activity:9279170,
activity:9281132,
activity:9347662,
activity:9417267,
activity:9419888,
activity:9496170,
activity:9498825,
activity:9530499,
activity:9671138,
activity:9703593,
activity:9750203,
activity:9850284,
activity:9879300,
activity:9917324,
activity:9950697,
activity:9987948,
activity:10046662,
activity:10068266,
activity:10155165,
activity:10161949,
activity:10213266,
activity:10241492,
activity:10290122,
activity:10360181,
activity:10383807,
activity:10430269,
activity:10481362,
activity:10578875,
activity:10659241,
activity:10669491,
activity:10687473,
activity:10769323,
activity:10784847
|
