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551198
Source:
http://linkedlifedata.com/resource/chembl/compound/551198
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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:551198
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:551198
chemicalCompound:parent
chemicalCompound:664707
lld:chembl
chemicalCompound:551198
chemicalCompound:standardIn...
InChI=1S/C21H27NO2.ClH/c23-16-5-4-15-10-20-18-7-6-17(24)12-21(18,19(15)11-16)8-9-22(20)13-14-2-1-3-14;/h4-5,11,14,18,20,23H,1-3,6-10,12-13H2;1H/t18-,20?,21?;/m1./s1
lld:chembl
chemicalCompound:551198
chemicalCompound:standardIn...
RPRKLSZTTTUWSR-YKZSEGQYSA-N
lld:chembl
chemicalCompound:551198
chemicalCompound:canonicalS...
Cl.Oc1ccc2CC3[C@H]4CCC(=O)CC4(CCN3CC5CCC5)c2c1
lld:chembl
chemicalCompound:551198
chemicalCompound:molecularF...
C21H28ClNO2
lld:chembl
chemicalCompound:551198
chemicalCompound:moleculeId
551198
lld:chembl
chemicalCompound:551198
chemicalCompound:mwFreebase
325.445
lld:chembl
chemicalCompound:551198
chemicalCompound:alogp
3.302
lld:chembl
chemicalCompound:551198
chemicalCompound:hba
3
lld:chembl
chemicalCompound:551198
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:551198
chemicalCompound:psa
40.54
lld:chembl
chemicalCompound:551198
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:551198
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:551198
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:551198
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:551198
chemicalCompound:acdMostApk...
10.071
lld:chembl
chemicalCompound:551198
chemicalCompound:acdLogP
4.081
lld:chembl
chemicalCompound:551198
chemicalCompound:acdLogD
2.865
lld:chembl
chemicalCompound:551198
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:551198
chemicalCompound:fullMwt
361.906
lld:chembl
chemicalCompound:551198
chemicalCompound:acdMostBpk...
8.607
lld:chembl
chemicalCompound:551198
chemicalCompound:chemblId
CHEMBL541553
lld:chembl
chemicalCompound:551198
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:551198
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:551198
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:551198
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:551198
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:551198
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:551198
chemicalCompound:oral
No
lld:chembl
chemicalCompound:551198
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:551198
chemicalCompound:topical
No
lld:chembl
chemicalCompound:551198
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:551198
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:551198
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:551198
chemicalCompound:activity
activity:882628
lld:chembl
chemicalCompound:551198
chemicalCompound:activity
activity:882629
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:551198
lld:chembl