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1231141
Source:
http://linkedlifedata.com/resource/chembl/compound/1231141
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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:1231141
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1231141
chemicalCompound:parent
chemicalCompound:1248013
lld:chembl
chemicalCompound:1231141
chemicalCompound:standardIn...
InChI=1S/C20H26BrNO2.ClH/c1-20(24,17-9-11-18(21)12-10-17)19(15-22-13-5-6-14-23)16-7-3-2-4-8-16;/h2-4,7-12,19,22-24H,5-6,13-15H2,1H3;1H
lld:chembl
chemicalCompound:1231141
chemicalCompound:standardIn...
RSDBQWGYLBIKSC-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1231141
chemicalCompound:canonicalS...
Cl.CC(O)(C(CNCCCCO)c1ccccc1)c2ccc(Br)cc2
lld:chembl
chemicalCompound:1231141
chemicalCompound:molecularF...
C20H27BrClNO2
lld:chembl
chemicalCompound:1231141
chemicalCompound:moleculeId
1231141
lld:chembl
chemicalCompound:1231141
chemicalCompound:mwFreebase
392.33
lld:chembl
chemicalCompound:1231141
chemicalCompound:alogp
3.456
lld:chembl
chemicalCompound:1231141
chemicalCompound:hba
3
lld:chembl
chemicalCompound:1231141
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:1231141
chemicalCompound:psa
52.49
lld:chembl
chemicalCompound:1231141
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:1231141
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1231141
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1231141
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1231141
chemicalCompound:acdMostApk...
13.715
lld:chembl
chemicalCompound:1231141
chemicalCompound:acdLogP
3.527
lld:chembl
chemicalCompound:1231141
chemicalCompound:acdLogD
1
lld:chembl
chemicalCompound:1231141
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:1231141
chemicalCompound:fullMwt
428.791
lld:chembl
chemicalCompound:1231141
chemicalCompound:acdMostBpk...
9.993
lld:chembl
chemicalCompound:1231141
chemicalCompound:chemblId
CHEMBL1890570
lld:chembl
chemicalCompound:1231141
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1231141
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1231141
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1231141
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1231141
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1231141
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1231141
chemicalCompound:activity
activity:6604679
lld:chembl
chemicalCompound:1231141
chemicalCompound:activity
activity:7174209
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1231141
lld:chembl