|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H14N2O2/c21-12-14-11-20(15-7-2-1-3-8-15)19-18(14)17-10-13-6-4-5-9-16(13)22-17/h1-11,21H,12H2
|
|
chemicalCompound:standardIn... |
HNKJTMMTUUZHMP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OCc1cn(nc1c2oc3ccccc3c2)c4ccccc4
|
|
chemicalCompound:molecularF... |
C18H14N2O2
|
|
chemicalCompound:moleculeId |
828277
|
|
chemicalCompound:mwFreebase |
290.316
|
|
chemicalCompound:alogp |
3.993
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
51.19
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.754
|
|
chemicalCompound:acdLogP |
2.434
|
|
chemicalCompound:acdLogD |
2.434
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
290.316
|
|
chemicalCompound:chemblId |
CHEMBL1404393
|
|
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:3698232,
activity:3838045,
activity:3847171,
activity:3892819,
activity:4091769,
activity:4156499,
activity:4372644,
activity:4565947,
activity:4724679,
activity:4763040,
activity:4915604,
activity:5001342,
activity:5046187,
activity:5438211,
activity:5602702,
activity:5669359,
activity:5902240,
activity:6436736,
activity:6582893,
activity:7140624,
activity:7294755,
activity:7385110,
activity:7432374
|
