|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
|
|
chemicalCompound:standardIn... |
BQCZGIQILFZTOZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1cccc(c1)N2C(=O)c3cccc4c(N)ccc(C2=O)c34
|
|
chemicalCompound:molecularF... |
C18H13N3O2
|
|
chemicalCompound:moleculeId |
924135
|
|
chemicalCompound:mwFreebase |
303.315
|
|
chemicalCompound:alogp |
1.854
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
89.42
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.196
|
|
chemicalCompound:acdLogD |
1.195
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.315
|
|
chemicalCompound:acdMostBpk... |
4.076
|
|
chemicalCompound:chemblId |
CHEMBL1500251
|
|
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:3606050,
activity:3619681,
activity:3736010,
activity:3789920,
activity:4222702,
activity:4328424,
activity:4460261,
activity:4733289,
activity:4745472,
activity:5509208,
activity:5513726,
activity:5567778,
activity:5664052,
activity:6462210,
activity:6558983,
activity:6584833,
activity:6762633,
activity:7259483
|
