|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
|
|
chemicalCompound:standardIn... |
RJWBOLLTMJMYNV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c4ncccc14)S(=O)(=O)C
|
|
chemicalCompound:molecularF... |
C20H18FN3O4S
|
|
chemicalCompound:moleculeId |
521906
|
|
chemicalCompound:mwFreebase |
415.438
|
|
chemicalCompound:alogp |
1.847
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
99.18
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.419
|
|
chemicalCompound:acdLogD |
-0.007
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
415.438
|
|
chemicalCompound:acdMostBpk... |
8.211
|
|
chemicalCompound:chemblId |
CHEMBL513189
|
|
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:2407701,
activity:2407714,
activity:2407715,
activity:2407721,
activity:2407737,
activity:2407738,
activity:2407739,
activity:2407740,
activity:2407741,
activity:2407742,
activity:5084658,
activity:5084662,
activity:5084664,
activity:5084666,
activity:5084668,
activity:5084678,
activity:5084679,
activity:5084684,
activity:5084689,
activity:5084694,
activity:5084701,
activity:5084711,
activity:5084719,
activity:5084727,
activity:5084735,
activity:5084743,
activity:5084751,
activity:5084759,
activity:5084793,
activity:5084794,
activity:5084795,
activity:5084796,
activity:5084797,
activity:5084798,
activity:5084799,
activity:5084800,
activity:5084801,
activity:5084802,
activity:5084803,
activity:5096437,
activity:5096446,
activity:5096455,
activity:5096464,
activity:5096473,
activity:5096482,
activity:5096491,
activity:5096500,
activity:5096509,
activity:5096518,
activity:5096527,
activity:5096536,
activity:5096545,
activity:5096554,
activity:5096563,
activity:5096572,
activity:5096579,
activity:5096580,
activity:5096582,
activity:5096587,
activity:5096588,
activity:5096589,
activity:5096597
|
