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1212537
Source:
http://linkedlifedata.com/resource/chembl/compound/1212537
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Subject
(
34
)
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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/C6H8N2/c7-4-5-2-1-3-6(5)8/h1-3,8H2
chemicalCompound:standardIn...
NSMYBPIHVACKQG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC1=C(CCC1)C#N
chemicalCompound:molecularF...
C6H8N2
chemicalCompound:moleculeId
1212537
chemicalCompound:mwFreebase
108.141
chemicalCompound:alogp
0.343
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
49.81
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
0
chemicalCompound:acdLogD
-0.078
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
108.141
chemicalCompound:acdMostBpk...
6.697
chemicalCompound:chemblId
CHEMBL1871966
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1312537
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:6945626