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16223
Source:
http://linkedlifedata.com/resource/chembl/compound/16223
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Subject
(
40
)
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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/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
chemicalCompound:standardIn...
NSPMIYGKQJPBQR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
c1nnc[nH]1
chemicalCompound:molecularF...
C2H3N3
chemicalCompound:moleculeId
16223
chemicalCompound:mwFreebase
69.0653
chemicalCompound:alogp
-0.807
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
41.57
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
10.18
chemicalCompound:acdLogP
-0.888
chemicalCompound:acdLogD
-0.889
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
69.0653
chemicalCompound:acdMostBpk...
2.881
chemicalCompound:chemblId
CHEMBL15571
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:116223
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
1,2,4-TRIAZOLE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:35550
chemicalCompound:activity
activity:638686
,
activity:3401942
,
activity:3401974
,
activity:3403017