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Sources
147020
Source:
http://linkedlifedata.com/resource/chembl/compound/147020
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Subject
(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C11H14ClNO/c12-8-5-4-7-2-1-3-10(13)11(14)9(7)6-8/h4-6,10-11,14H,1-3,13H2
chemicalCompound:standardIn...
PGZGJVAXNJLLBI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC1CCCc2ccc(Cl)cc2C1O
chemicalCompound:molecularF...
C11 H14 Cl N O
chemicalCompound:moleculeId
147020
chemicalCompound:mwFreebase
211.688
chemicalCompound:alogp
2.105
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
46.25
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.81
chemicalCompound:acdLogP
2.015
chemicalCompound:acdLogD
-0.177
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
211.688
chemicalCompound:acdMostBpk...
9.689
chemicalCompound:chemblId
CHEMBL327233
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:247020
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:31907
,
activity:31908
,
activity:65557