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642326
Source:
http://linkedlifedata.com/resource/chembl/compound/642326
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Subject
Predicate
Object
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(
45
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:642326
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:642326
chemicalCompound:standardIn...
InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1
lld:chembl
chemicalCompound:642326
chemicalCompound:standardIn...
GHWJEDJMOVUXEC-CYBMUJFWSA-N
lld:chembl
chemicalCompound:642326
chemicalCompound:canonicalS...
Oc1cc2[C@H](CNCCc2c(Cl)c1O)c3ccccc3
lld:chembl
chemicalCompound:642326
chemicalCompound:molecularF...
C16H16ClNO2
lld:chembl
chemicalCompound:642326
chemicalCompound:moleculeId
642326
lld:chembl
chemicalCompound:642326
chemicalCompound:mwFreebase
289.757
lld:chembl
chemicalCompound:642326
chemicalCompound:alogp
3.295
lld:chembl
chemicalCompound:642326
chemicalCompound:hba
3
lld:chembl
chemicalCompound:642326
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:642326
chemicalCompound:psa
52.48
lld:chembl
chemicalCompound:642326
chemicalCompound:rtb
1
lld:chembl
chemicalCompound:642326
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:642326
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:642326
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:642326
chemicalCompound:acdMostApk...
8.481
lld:chembl
chemicalCompound:642326
chemicalCompound:acdLogP
2.661
lld:chembl
chemicalCompound:642326
chemicalCompound:acdLogD
0.926
lld:chembl
chemicalCompound:642326
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:642326
chemicalCompound:fullMwt
289.757
lld:chembl
chemicalCompound:642326
chemicalCompound:acdMostBpk...
9.36
lld:chembl
chemicalCompound:642326
chemicalCompound:chemblId
CHEMBL1160787
lld:chembl
chemicalCompound:642326
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:642326
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:642326
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:642326
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:642326
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:642326
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:642326
chemicalCompound:oral
No
lld:chembl
chemicalCompound:642326
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:642326
chemicalCompound:topical
No
lld:chembl
chemicalCompound:642326
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:642326
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:642326
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194453
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194454
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194455
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194456
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194457
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:194458
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:456316
lld:chembl
chemicalCompound:642326
chemicalCompound:activity
activity:456317
lld:chembl
chemicalCompound:706021
chemicalCompound:parent
chemicalCompound:642326
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:642326
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:642326
lld:chembl