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68413
Source:
http://linkedlifedata.com/resource/chembl/compound/68413
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Subject
Predicate
Object
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(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:68413
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:68413
chemicalCompound:standardIn...
InChI=1S/C13H16N4O2/c1-9(2)10-3-5-11(6-4-10)17-8-12(7-15-16-14)19-13(17)18/h3-6,9,12H,7-8H2,1-2H3
lld:chembl
chemicalCompound:68413
chemicalCompound:standardIn...
BEQDBKQJGWFXQD-UHFFFAOYSA-N
lld:chembl
chemicalCompound:68413
chemicalCompound:canonicalS...
CC(C)c1ccc(cc1)N2CC(CN=[N+]=[N-])OC2=O
lld:chembl
chemicalCompound:68413
chemicalCompound:molecularF...
C13 H16 N4 O2
lld:chembl
chemicalCompound:68413
chemicalCompound:moleculeId
68413
lld:chembl
chemicalCompound:68413
chemicalCompound:mwFreebase
260.292
lld:chembl
chemicalCompound:68413
chemicalCompound:alogp
3.603
lld:chembl
chemicalCompound:68413
chemicalCompound:hba
4
lld:chembl
chemicalCompound:68413
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:68413
chemicalCompound:psa
79.28
lld:chembl
chemicalCompound:68413
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:68413
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:68413
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:68413
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:68413
chemicalCompound:acdLogP
3.692
lld:chembl
chemicalCompound:68413
chemicalCompound:acdLogD
3.692
lld:chembl
chemicalCompound:68413
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:68413
chemicalCompound:fullMwt
260.292
lld:chembl
chemicalCompound:68413
chemicalCompound:chemblId
CHEMBL294945
lld:chembl
chemicalCompound:68413
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:68413
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:68413
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:68413
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:68413
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:68413
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:68413
chemicalCompound:oral
No
lld:chembl
chemicalCompound:68413
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:68413
chemicalCompound:topical
No
lld:chembl
chemicalCompound:68413
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:68413
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:68413
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:68413
chemicalCompound:activity
activity:1012674
lld:chembl
chemicalCompound:68413
chemicalCompound:activity
activity:1012675
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:68413
lld:chembl