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259772
Source:
http://linkedlifedata.com/resource/chembl/compound/259772
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Subject
Predicate
Object
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(
39
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:259772
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:259772
chemicalCompound:standardIn...
InChI=1S/C17H16BrNO/c1-19-6-5-10-3-2-4-13-16(10)14(19)8-11-7-12(18)9-15(20)17(11)13/h2-4,7,9,14,20H,5-6,8H2,1H3/t14-/m0/s1
lld:chembl
chemicalCompound:259772
chemicalCompound:standardIn...
KHTGEMLTFUDITR-AWEZNQCLSA-N
lld:chembl
chemicalCompound:259772
chemicalCompound:canonicalS...
CN1CCc2cccc3c2[C@@H]1Cc4cc(Br)cc(O)c34
lld:chembl
chemicalCompound:259772
chemicalCompound:molecularF...
C17 H16 Br N O
lld:chembl
chemicalCompound:259772
chemicalCompound:moleculeId
259772
lld:chembl
chemicalCompound:259772
chemicalCompound:mwFreebase
330.219
lld:chembl
chemicalCompound:259772
chemicalCompound:alogp
4.106
lld:chembl
chemicalCompound:259772
chemicalCompound:hba
2
lld:chembl
chemicalCompound:259772
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:259772
chemicalCompound:psa
23.47
lld:chembl
chemicalCompound:259772
chemicalCompound:rtb
0
lld:chembl
chemicalCompound:259772
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:259772
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:259772
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:259772
chemicalCompound:acdMostApk...
8.637
lld:chembl
chemicalCompound:259772
chemicalCompound:acdLogP
3.113
lld:chembl
chemicalCompound:259772
chemicalCompound:acdLogD
2.615
lld:chembl
chemicalCompound:259772
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:259772
chemicalCompound:fullMwt
330.219
lld:chembl
chemicalCompound:259772
chemicalCompound:acdMostBpk...
7.722
lld:chembl
chemicalCompound:259772
chemicalCompound:chemblId
CHEMBL157735
lld:chembl
chemicalCompound:259772
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:259772
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:259772
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:259772
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:259772
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:259772
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:259772
chemicalCompound:oral
No
lld:chembl
chemicalCompound:259772
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:259772
chemicalCompound:topical
No
lld:chembl
chemicalCompound:259772
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:259772
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:259772
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:259772
chemicalCompound:activity
activity:168823
lld:chembl
chemicalCompound:259772
chemicalCompound:activity
activity:168824
lld:chembl
chemicalCompound:259772
chemicalCompound:activity
activity:168825
lld:chembl
chemicalCompound:259772
chemicalCompound:activity
activity:168826
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:259772
lld:chembl