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486576
Source:
http://linkedlifedata.com/resource/chembl/compound/486576
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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:486576
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:486576
chemicalCompound:standardIn...
InChI=1S/C12H14BrN3O3/c1-6-3-4-8(15-10(17)7(2)13)5-9(6)11(18)16-12(14)19/h3-5,7H,1-2H3,(H,15,17)(H3,14,16,18,19)
lld:chembl
chemicalCompound:486576
chemicalCompound:standardIn...
RWBAJTSDEJQJCA-UHFFFAOYSA-N
lld:chembl
chemicalCompound:486576
chemicalCompound:canonicalS...
CC(Br)C(=O)Nc1ccc(C)c(c1)C(=O)NC(=O)N
lld:chembl
chemicalCompound:486576
chemicalCompound:molecularF...
C12H14BrN3O3
lld:chembl
chemicalCompound:486576
chemicalCompound:moleculeId
486576
lld:chembl
chemicalCompound:486576
chemicalCompound:mwFreebase
328.162
lld:chembl
chemicalCompound:486576
chemicalCompound:alogp
1.38
lld:chembl
chemicalCompound:486576
chemicalCompound:hba
3
lld:chembl
chemicalCompound:486576
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:486576
chemicalCompound:psa
101.29
lld:chembl
chemicalCompound:486576
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:486576
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:486576
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:486576
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:486576
chemicalCompound:acdMostApk...
10.976
lld:chembl
chemicalCompound:486576
chemicalCompound:acdLogP
1
lld:chembl
chemicalCompound:486576
chemicalCompound:acdLogD
0.999
lld:chembl
chemicalCompound:486576
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:486576
chemicalCompound:fullMwt
328.162
lld:chembl
chemicalCompound:486576
chemicalCompound:acdMostBpk...
0.081
lld:chembl
chemicalCompound:486576
chemicalCompound:chemblId
CHEMBL497546
lld:chembl
chemicalCompound:486576
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:486576
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:486576
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:486576
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:486576
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:486576
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:486576
chemicalCompound:oral
No
lld:chembl
chemicalCompound:486576
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:486576
chemicalCompound:topical
No
lld:chembl
chemicalCompound:486576
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:486576
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:486576
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:486576
chemicalCompound:activity
activity:2355835
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:486576
lld:chembl