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Sources
28974
Source:
http://linkedlifedata.com/resource/chembl/compound/28974
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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/C8H9N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H3,9,10,11)
chemicalCompound:standardIn...
GQRRWNLARRRPRY-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC1=NCc2ccccc2N1
chemicalCompound:molecularF...
C8 H9 N3
chemicalCompound:moleculeId
28974
chemicalCompound:mwFreebase
147.177
chemicalCompound:alogp
0.754
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
50.41
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.508
chemicalCompound:acdLogD
-1.447
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
147.177
chemicalCompound:acdMostBpk...
11.571
chemicalCompound:chemblId
CHEMBL25212
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:128974
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:68132
,
activity:68133
,
activity:68134
,
activity:68135
,
activity:68136
,
activity:68137
,
activity:68138