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1158449
Source:
http://linkedlifedata.com/resource/chembl/compound/1158449
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Subject
(
34
)
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Object
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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/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
chemicalCompound:standardIn...
BWAPJIHJXDYDPW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cc(N)c(C)cc1N
chemicalCompound:molecularF...
C8H12N2
chemicalCompound:moleculeId
1158449
chemicalCompound:mwFreebase
136.194
chemicalCompound:alogp
1.309
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
52.04
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
-0.166
chemicalCompound:acdLogD
-0.189
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
136.194
chemicalCompound:acdMostBpk...
6.136
chemicalCompound:chemblId
CHEMBL1795410
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1258449
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:6264925