|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13F2N3OS/c1-9-6-13-16(24-9)11-7-20-22(17(23)15(11)21(13)2)8-10-4-3-5-12(18)14(10)19/h3-7H,8H2,1-2H3
|
|
chemicalCompound:standardIn... |
HCQNYJDVPCTEMQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1cc2c(s1)c3C=NN(Cc4cccc(F)c4F)C(=O)c3n2C
|
|
chemicalCompound:molecularF... |
C17H13F2N3OS
|
|
chemicalCompound:moleculeId |
632173
|
|
chemicalCompound:mwFreebase |
345.366
|
|
chemicalCompound:alogp |
3.943
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
65.84
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.846
|
|
chemicalCompound:acdLogD |
2.846
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
345.366
|
|
chemicalCompound:chemblId |
CHEMBL1083728
|
|
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:3312396,
activity:3312397,
activity:3312398,
activity:3312399,
activity:3312400,
activity:3312401,
activity:3313347,
activity:3313348,
activity:3699586,
activity:3942430,
activity:4417409,
activity:4443386,
activity:4711817,
activity:4839431
|
