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Sources
13394
Source:
http://linkedlifedata.com/resource/chembl/compound/13394
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Subject
(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
chemicalCompound:standardIn...
CYKCUAPYWQDIKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1ccc(cc1)n2ccnc2
chemicalCompound:molecularF...
C9H8N2O
chemicalCompound:moleculeId
13394
chemicalCompound:mwFreebase
160.173
chemicalCompound:alogp
1.257
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
38.04
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.364
chemicalCompound:acdLogP
0.897
chemicalCompound:acdLogD
0.882
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
160.173
chemicalCompound:acdMostBpk...
5.787
chemicalCompound:chemblId
CHEMBL275339
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:113394
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:82076
,
activity:82077
,
activity:82078
,
activity:82079