|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
|
|
chemicalCompound:standardIn... |
SMWDFEZZVXVKRB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc2ncccc2c1
|
|
chemicalCompound:molecularF... |
C9H7N
|
|
chemicalCompound:moleculeId |
15233
|
|
chemicalCompound:mwFreebase |
129.159
|
|
chemicalCompound:alogp |
2.016
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.89
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.131
|
|
chemicalCompound:acdLogD |
2.129
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
129.159
|
|
chemicalCompound:acdMostBpk... |
4.972
|
|
chemicalCompound:chemblId |
CHEMBL14474
|
|
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:prefName |
QUINOLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:238477,
activity:289734,
activity:416612,
activity:585449,
activity:585450,
activity:585451,
activity:795664,
activity:846249,
activity:976127,
activity:991776,
activity:991777,
activity:1019312,
activity:1267889,
activity:1267890,
activity:1272394,
activity:1272395,
activity:1272396,
activity:1474302,
activity:1504266,
activity:2385367,
activity:2456634,
activity:2456677,
activity:2556751,
activity:4184096,
activity:6866764,
activity:7479453,
activity:7565147,
activity:7565148,
activity:7984995,
activity:7985015,
activity:7985025,
activity:7985035,
activity:7985044,
activity:7985054,
activity:7985064,
activity:7985074,
activity:7985084,
activity:7985094,
activity:8026336
|
