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544448
Source:
http://linkedlifedata.com/resource/chembl/compound/544448
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Subject
(
36
)
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:26919
chemicalCompound:standardIn...
InChI=1S/C10H13N.ClH/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-5H,6-8H2,1H3;1H
chemicalCompound:standardIn...
ZNQJFIFFHMOZQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CN1CCc2ccccc2C1
chemicalCompound:molecularF...
C10H14ClN
chemicalCompound:moleculeId
544448
chemicalCompound:mwFreebase
147.217
chemicalCompound:alogp
1.978
chemicalCompound:hba
1
chemicalCompound:hbd
0
chemicalCompound:psa
3.24
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.453
chemicalCompound:acdLogD
0.045
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
183.678
chemicalCompound:acdMostBpk...
8.8
chemicalCompound:chemblId
CHEMBL545413
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:644448
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:603353
,
activity:603354