|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H15N5O2/c21-20(22)15(11-16-18-13-7-3-1-4-8-13)12-17-19-14-9-5-2-6-10-14/h1-12,15,18-19H/b16-11+,17-12+
|
|
chemicalCompound:standardIn... |
IKQYBSBIBFKSHM-MAEUFBSDSA-N
|
|
chemicalCompound:canonicalS... |
[O-][N+](=O)C(\C=N\Nc1ccccc1)\C=N\Nc2ccccc2
|
|
chemicalCompound:molecularF... |
C15H15N5O2
|
|
chemicalCompound:moleculeId |
1286503
|
|
chemicalCompound:mwFreebase |
297.312
|
|
chemicalCompound:alogp |
3.365
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
94.6
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.41
|
|
chemicalCompound:acdLogD |
0.906
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.312
|
|
chemicalCompound:acdMostBpk... |
8.114
|
|
chemicalCompound:chemblId |
CHEMBL1965212
|
|
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:8285082,
activity:8335002,
activity:8354469,
activity:8393756,
activity:8435241,
activity:8475389,
activity:8544487,
activity:8560130,
activity:8640954,
activity:8692495,
activity:8721386,
activity:8736795,
activity:8739340,
activity:8840787,
activity:8871847,
activity:8892394,
activity:8955837,
activity:9006441,
activity:9033521,
activity:9136698,
activity:9138989,
activity:9159217,
activity:9224143,
activity:9256550,
activity:9271870,
activity:9325284,
activity:9327646,
activity:9332901,
activity:9478173,
activity:9489336,
activity:9639172,
activity:9662028,
activity:9745237,
activity:9751306,
activity:9830052,
activity:9856661,
activity:9898074,
activity:9932395,
activity:9960793,
activity:10050537,
activity:10092369,
activity:10095777,
activity:10141240,
activity:10214593,
activity:10252434,
activity:10291456,
activity:10333490,
activity:10408287,
activity:10448033,
activity:10497240,
activity:10533185,
activity:10559224,
activity:10561117,
activity:10637085,
activity:10656168,
activity:10689389,
activity:10744067,
activity:10762436,
activity:10818431
|
