|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
|
|
chemicalCompound:standardIn... |
QZTWUDDGLIDXSE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1c2ccncc2c(C)c3c4cc(O)ccc4[nH]c13
|
|
chemicalCompound:molecularF... |
C17 H14 N2 O
|
|
chemicalCompound:moleculeId |
33196
|
|
chemicalCompound:mwFreebase |
262.306
|
|
chemicalCompound:alogp |
3.811
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
48.91
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.682
|
|
chemicalCompound:acdLogP |
4.348
|
|
chemicalCompound:acdLogD |
4.195
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
262.306
|
|
chemicalCompound:acdMostBpk... |
6.999
|
|
chemicalCompound:chemblId |
CHEMBL26559
|
|
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:282360,
activity:438042,
activity:438043,
activity:438044,
activity:438045,
activity:438046,
activity:438047,
activity:467034,
activity:467035,
activity:829740,
activity:829741,
activity:829742,
activity:829743,
activity:904349,
activity:909575,
activity:909576,
activity:909577,
activity:909578,
activity:909579,
activity:909580,
activity:909581,
activity:909582,
activity:909583,
activity:909584,
activity:909585,
activity:909586,
activity:909587,
activity:909588,
activity:909589,
activity:909590,
activity:909591,
activity:909592,
activity:909593,
activity:909594,
activity:909595,
activity:909596,
activity:909597,
activity:909598,
activity:909599,
activity:1107337,
activity:1107338,
activity:1107339,
activity:1107340,
activity:1611780,
activity:1611781,
activity:1611782,
activity:1611783,
activity:1611784,
activity:1611785,
activity:6329098,
activity:6329125,
activity:6329152,
activity:6329177,
activity:6329206
|
