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189016
Source:
http://linkedlifedata.com/resource/chembl/compound/189016
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Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:189016
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:189016
chemicalCompound:standardIn...
InChI=1S/C23H19BrN4O3/c1-30-10-11-31-9-3-6-22(29)27-19-7-8-21-20(13-19)23(16(14-25)15-26-21)28-18-5-2-4-17(24)12-18/h2,4-5,7-8,12-13,15H,9-11H2,1H3,(H,26,28)(H,27,29)
lld:chembl
chemicalCompound:189016
chemicalCompound:standardIn...
QFRXIKQLGYNTBV-UHFFFAOYSA-N
lld:chembl
chemicalCompound:189016
chemicalCompound:canonicalS...
COCCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
lld:chembl
chemicalCompound:189016
chemicalCompound:molecularF...
C23 H19 Br N4 O3
lld:chembl
chemicalCompound:189016
chemicalCompound:moleculeId
189016
lld:chembl
chemicalCompound:189016
chemicalCompound:mwFreebase
479.326
lld:chembl
chemicalCompound:189016
chemicalCompound:alogp
3.723
lld:chembl
chemicalCompound:189016
chemicalCompound:hba
6
lld:chembl
chemicalCompound:189016
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:189016
chemicalCompound:psa
96.27
lld:chembl
chemicalCompound:189016
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:189016
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:189016
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:189016
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:189016
chemicalCompound:acdMostApk...
9.72
lld:chembl
chemicalCompound:189016
chemicalCompound:acdLogP
3.333
lld:chembl
chemicalCompound:189016
chemicalCompound:acdLogD
3.329
lld:chembl
chemicalCompound:189016
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:189016
chemicalCompound:fullMwt
479.326
lld:chembl
chemicalCompound:189016
chemicalCompound:acdMostBpk...
3.771
lld:chembl
chemicalCompound:189016
chemicalCompound:chemblId
CHEMBL115440
lld:chembl
chemicalCompound:189016
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:189016
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:189016
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:189016
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:189016
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:189016
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:189016
chemicalCompound:oral
No
lld:chembl
chemicalCompound:189016
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:189016
chemicalCompound:topical
No
lld:chembl
chemicalCompound:189016
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:189016
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:189016
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:189016
chemicalCompound:activity
activity:1047913
lld:chembl
chemicalCompound:189016
chemicalCompound:activity
activity:6261358
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:189016
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:189016
lld:chembl