|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H17FN2O2S/c1-14-10-11-19(27-2)18(12-14)25(21(26)15-6-5-7-16(23)13-15)22-24-17-8-3-4-9-20(17)28-22/h3-13H,1-2H3
|
|
chemicalCompound:standardIn... |
UQVMNWMKRAJTQR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(C)cc1N(C(=O)c2cccc(F)c2)c3nc4ccccc4s3
|
|
chemicalCompound:molecularF... |
C22H17FN2O2S
|
|
chemicalCompound:moleculeId |
723146
|
|
chemicalCompound:mwFreebase |
392.446
|
|
chemicalCompound:alogp |
5.698
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
70.67
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.641
|
|
chemicalCompound:acdLogD |
5.641
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
392.446
|
|
chemicalCompound:acdMostBpk... |
1.028
|
|
chemicalCompound:chemblId |
CHEMBL1299262
|
|
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 |
|
