|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
|
|
chemicalCompound:standardIn... |
KEQFTVQCIQJIQW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
N(c1ccccc1)c2ccc3ccccc3c2
|
|
chemicalCompound:molecularF... |
C16H13N
|
|
chemicalCompound:moleculeId |
967516
|
|
chemicalCompound:mwFreebase |
219.281
|
|
chemicalCompound:alogp |
4.288
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.54
|
|
chemicalCompound:acdLogD |
4.54
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
219.281
|
|
chemicalCompound:acdMostBpk... |
0.78
|
|
chemicalCompound:chemblId |
CHEMBL1543632
|
|
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:3689692,
activity:4155484,
activity:4663685,
activity:4780510,
activity:4828367,
activity:4841458,
activity:4865092,
activity:4969689,
activity:5038742,
activity:5469946,
activity:6581041,
activity:6792537,
activity:6810072,
activity:6862171,
activity:7003279,
activity:7005069,
activity:7011245,
activity:7228735,
activity:7561400
|
