|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2
|
|
chemicalCompound:standardIn... |
HRQSPGSEYDLAIM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c4ccccc4
|
|
chemicalCompound:molecularF... |
C18H12N2O2
|
|
chemicalCompound:moleculeId |
837394
|
|
chemicalCompound:mwFreebase |
288.3
|
|
chemicalCompound:alogp |
2.6
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
63.4
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.236
|
|
chemicalCompound:acdLogD |
2.236
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
288.3
|
|
chemicalCompound:acdMostBpk... |
3.977
|
|
chemicalCompound:chemblId |
CHEMBL1413510
|
|
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:3606956,
activity:3727301,
activity:3736016,
activity:3758964,
activity:3795025,
activity:3869206,
activity:4136219,
activity:4216118,
activity:4347568,
activity:4479383,
activity:4511062,
activity:4733295,
activity:4745478,
activity:5502970,
activity:5513623,
activity:5567630,
activity:5659760,
activity:6469558,
activity:6584854,
activity:6637601,
activity:6755188,
activity:6862076,
activity:6898532,
activity:7234321,
activity:7292968,
activity:7339937,
activity:10556328
|
