|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H17N3/c1-3-7-16(8-4-1)18-13-22-14-19(18)20(23-12-11-21-15-23)17-9-5-2-6-10-17/h1-15,20,22H
|
|
chemicalCompound:standardIn... |
OXAYMRKIQACOMU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc(cc1)C(c2c[nH]cc2c3ccccc3)n4ccnc4
|
|
chemicalCompound:molecularF... |
C20 H17 N3
|
|
chemicalCompound:moleculeId |
222678
|
|
chemicalCompound:mwFreebase |
299.369
|
|
chemicalCompound:alogp |
3.73
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.61
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.699
|
|
chemicalCompound:acdLogD |
4.628
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
299.369
|
|
chemicalCompound:acdMostBpk... |
6.605
|
|
chemicalCompound:chemblId |
CHEMBL134302
|
|
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:1241394,
activity:1241395,
activity:1241396,
activity:1241397,
activity:1241398,
activity:1241399,
activity:1241400,
activity:1241401,
activity:1241402,
activity:1241403,
activity:1241404,
activity:1241405,
activity:1241406,
activity:1241407,
activity:1241408,
activity:1241409
|
