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454513
Source:
http://linkedlifedata.com/resource/chembl/compound/454513
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:454513
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:454513
chemicalCompound:standardIn...
InChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
lld:chembl
chemicalCompound:454513
chemicalCompound:standardIn...
RBLRQBGOUCRKRT-UHFFFAOYSA-N
lld:chembl
chemicalCompound:454513
chemicalCompound:canonicalS...
Cc1c(N)cc(cc1C(=O)N)[N+](=O)[O-]
lld:chembl
chemicalCompound:454513
chemicalCompound:molecularF...
C8H9N3O3
lld:chembl
chemicalCompound:454513
chemicalCompound:moleculeId
454513
lld:chembl
chemicalCompound:454513
chemicalCompound:mwFreebase
195.175
lld:chembl
chemicalCompound:454513
chemicalCompound:alogp
0.466
lld:chembl
chemicalCompound:454513
chemicalCompound:hba
4
lld:chembl
chemicalCompound:454513
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:454513
chemicalCompound:psa
114.93
lld:chembl
chemicalCompound:454513
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:454513
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:454513
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:454513
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:454513
chemicalCompound:acdLogP
-0.22
lld:chembl
chemicalCompound:454513
chemicalCompound:acdLogD
-0.22
lld:chembl
chemicalCompound:454513
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:454513
chemicalCompound:fullMwt
195.175
lld:chembl
chemicalCompound:454513
chemicalCompound:acdMostBpk...
1.361
lld:chembl
chemicalCompound:454513
chemicalCompound:chemblId
CHEMBL510184
lld:chembl
chemicalCompound:454513
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:454513
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:454513
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:454513
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:454513
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:454513
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:454513
chemicalCompound:oral
No
lld:chembl
chemicalCompound:454513
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:454513
chemicalCompound:topical
No
lld:chembl
chemicalCompound:454513
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:454513
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:454513
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:454513
chemicalCompound:activity
activity:2588807
lld:chembl
chemicalCompound:454513
chemicalCompound:activity
activity:2588853
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:454513
lld:chembl