|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13N3O2/c21-20(22)15-7-3-6-13(8-15)16-11-19-10-14-5-2-1-4-12(14)9-17(19)18-16/h1-8,11H,9-10H2
|
|
chemicalCompound:standardIn... |
LBRLJERWEFMOLH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)c1cccc(c1)c2cn3Cc4ccccc4Cc3n2
|
|
chemicalCompound:molecularF... |
C17H13N3O2
|
|
chemicalCompound:moleculeId |
1286599
|
|
chemicalCompound:mwFreebase |
291.304
|
|
chemicalCompound:alogp |
3.477
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
63.64
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.632
|
|
chemicalCompound:acdLogD |
3.615
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
291.304
|
|
chemicalCompound:acdMostBpk... |
6.006
|
|
chemicalCompound:chemblId |
CHEMBL1965308
|
|
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:8269985,
activity:8289511,
activity:8339486,
activity:8358935,
activity:8373528,
activity:8398134,
activity:8459984,
activity:8479793,
activity:8548978,
activity:8564613,
activity:8641198,
activity:8655313,
activity:8696893,
activity:8743788,
activity:8834230,
activity:8845295,
activity:8876318,
activity:8896873,
activity:8940122,
activity:9044566,
activity:9048166,
activity:9141120,
activity:9143360,
activity:9156865,
activity:9260956,
activity:9276239,
activity:9329688,
activity:9337257,
activity:9482521,
activity:9493673,
activity:9571225,
activity:9662276,
activity:9755728,
activity:9834267,
activity:9861060,
activity:9902478,
activity:9932654,
activity:9965191,
activity:10006952,
activity:10018290,
activity:10054822,
activity:10135102,
activity:10145640,
activity:10218973,
activity:10256836,
activity:10295792,
activity:10324243,
activity:10337859,
activity:10412611,
activity:10453313,
activity:10467353,
activity:10565378,
activity:10641390,
activity:10660443,
activity:10673510,
activity:10693768,
activity:10766807
|
