|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14FN3O2S2/c1-20-13-7-14(25(2)23)24-16(13)11-8-19-21(17(22)15(11)20)9-10-5-3-4-6-12(10)18/h3-8H,9H2,1-2H3
|
|
chemicalCompound:standardIn... |
QWORNIYQFHGHHU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C[S+]([O-])c1cc2c(s1)c3C=NN(Cc4ccccc4F)C(=O)c3n2C
|
|
chemicalCompound:molecularF... |
C17H14FN3O2S2
|
|
chemicalCompound:moleculeId |
631711
|
|
chemicalCompound:mwFreebase |
375.44
|
|
chemicalCompound:alogp |
3.464
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
102.12
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
375.44
|
|
chemicalCompound:chemblId |
CHEMBL1086566
|
|
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:3312570,
activity:3312571,
activity:3312572,
activity:3312573,
activity:3312574,
activity:3312575,
activity:3313331,
activity:3313388,
activity:3313412,
activity:3699625,
activity:3942446,
activity:4417430,
activity:4443927,
activity:4839454
|
