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727139
Source:
http://linkedlifedata.com/resource/chembl/compound/727139
Search
Subject
Predicate
Object
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(
49
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:727139
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:727139
chemicalCompound:standardIn...
InChI=1S/C16H8N6/c17-6-11(7-18)15-12(8-19)14(10-4-2-1-3-5-10)13(9-20)16(21)22-15/h1-5,22H,21H2
lld:chembl
chemicalCompound:727139
chemicalCompound:standardIn...
IVKZWBUJRRZZFW-UHFFFAOYSA-N
lld:chembl
chemicalCompound:727139
chemicalCompound:canonicalS...
NC1=C(C#N)C(=C(C#N)C(=C(C#N)C#N)N1)c2ccccc2
lld:chembl
chemicalCompound:727139
chemicalCompound:molecularF...
C16H8N6
lld:chembl
chemicalCompound:727139
chemicalCompound:moleculeId
727139
lld:chembl
chemicalCompound:727139
chemicalCompound:mwFreebase
284.275
lld:chembl
chemicalCompound:727139
chemicalCompound:alogp
0.826
lld:chembl
chemicalCompound:727139
chemicalCompound:hba
6
lld:chembl
chemicalCompound:727139
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:727139
chemicalCompound:psa
133.2
lld:chembl
chemicalCompound:727139
chemicalCompound:rtb
1
lld:chembl
chemicalCompound:727139
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:727139
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:727139
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:727139
chemicalCompound:acdLogP
4.855
lld:chembl
chemicalCompound:727139
chemicalCompound:acdLogD
4.855
lld:chembl
chemicalCompound:727139
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:727139
chemicalCompound:fullMwt
284.275
lld:chembl
chemicalCompound:727139
chemicalCompound:acdMostBpk...
4.078
lld:chembl
chemicalCompound:727139
chemicalCompound:chemblId
CHEMBL1303255
lld:chembl
chemicalCompound:727139
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:727139
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:727139
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:727139
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:727139
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:727139
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:727139
chemicalCompound:oral
No
lld:chembl
chemicalCompound:727139
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:727139
chemicalCompound:topical
No
lld:chembl
chemicalCompound:727139
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:727139
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:727139
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:3794990
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:3798570
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:4297442
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:4331034
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:4380999
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:4551600
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5020852
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5028276
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5536237
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5655963
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5711473
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:5820365
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:6966100
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:7003789
lld:chembl
chemicalCompound:727139
chemicalCompound:activity
activity:7398030
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:727139
lld:chembl