rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
|
chemicalCompound:standardIn... |
JWVCLYRUEFBMGU-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
c1ccc2ncncc2c1
|
chemicalCompound:molecularF... |
C8H6N2
|
chemicalCompound:moleculeId |
81747
|
chemicalCompound:mwFreebase |
130.147
|
chemicalCompound:alogp |
1.388
|
chemicalCompound:hba |
2
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
25.78
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
1
|
chemicalCompound:acdLogD |
1
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
130.147
|
chemicalCompound:acdMostBpk... |
3.433
|
chemicalCompound:chemblId |
CHEMBL301359
|
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 |
QUINAZOLINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
|