|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
|
|
chemicalCompound:standardIn... |
AWJUIBRHMBBTKR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
c1ccc2cnccc2c1
|
|
chemicalCompound:molecularF... |
C9H7N
|
|
chemicalCompound:moleculeId |
9887
|
|
chemicalCompound:mwFreebase |
129.159
|
|
chemicalCompound:alogp |
1.587
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.89
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.02
|
|
chemicalCompound:acdLogD |
2.016
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
129.159
|
|
chemicalCompound:acdMostBpk... |
5.368
|
|
chemicalCompound:chemblId |
CHEMBL12315
|
|
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 |
ISOQUINOLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:246751,
activity:441826,
activity:1011428,
activity:1011429,
activity:1504260,
activity:1737534,
activity:1737918,
activity:1737978,
activity:1737983,
activity:1737985,
activity:2055396,
activity:2055433,
activity:2055492,
activity:2058698,
activity:2456633,
activity:2456676,
activity:5122868
|
