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553391
Source:
http://linkedlifedata.com/resource/chembl/compound/553391
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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:553391
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:553391
chemicalCompound:parent
chemicalCompound:13505
lld:chembl
chemicalCompound:553391
chemicalCompound:standardIn...
InChI=1S/C8H8ClN3.HI/c9-6-2-1-5-4-11-8(10)12-7(5)3-6;/h1-3H,4H2,(H3,10,11,12);1H
lld:chembl
chemicalCompound:553391
chemicalCompound:standardIn...
RTGFHPHIKMTEJB-UHFFFAOYSA-N
lld:chembl
chemicalCompound:553391
chemicalCompound:canonicalS...
I.NC1=Nc2cc(Cl)ccc2CN1
lld:chembl
chemicalCompound:553391
chemicalCompound:molecularF...
C8H9ClIN3
lld:chembl
chemicalCompound:553391
chemicalCompound:moleculeId
553391
lld:chembl
chemicalCompound:553391
chemicalCompound:mwFreebase
181.622
lld:chembl
chemicalCompound:553391
chemicalCompound:alogp
1.418
lld:chembl
chemicalCompound:553391
chemicalCompound:hba
3
lld:chembl
chemicalCompound:553391
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:553391
chemicalCompound:psa
50.41
lld:chembl
chemicalCompound:553391
chemicalCompound:rtb
0
lld:chembl
chemicalCompound:553391
chemicalCompound:ro3Pass
Y
lld:chembl
chemicalCompound:553391
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:553391
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:553391
chemicalCompound:acdLogP
1.082
lld:chembl
chemicalCompound:553391
chemicalCompound:acdLogD
-0.624
lld:chembl
chemicalCompound:553391
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:553391
chemicalCompound:fullMwt
309.535
lld:chembl
chemicalCompound:553391
chemicalCompound:acdMostBpk...
9.405
lld:chembl
chemicalCompound:553391
chemicalCompound:chemblId
CHEMBL538340
lld:chembl
chemicalCompound:553391
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:553391
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:553391
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:553391
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:553391
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:553391
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:553391
chemicalCompound:oral
No
lld:chembl
chemicalCompound:553391
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:553391
chemicalCompound:topical
No
lld:chembl
chemicalCompound:553391
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:553391
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:553391
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:553391
chemicalCompound:activity
activity:2087362
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:553391
lld:chembl