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891820
Source:
http://linkedlifedata.com/resource/chembl/compound/891820
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Subject
(
36
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:1044267
chemicalCompound:standardIn...
InChI=1S/C13H16N2.ClH/c1-4-9-15-12-8-6-5-7-11(12)14-13(15)10(2)3;/h4-8,10H,1,9H2,2-3H3;1H
chemicalCompound:standardIn...
WQMWMXPYZZUMJD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CC(C)c1nc2ccccc2n1CC=C
chemicalCompound:molecularF...
C13H17ClN2
chemicalCompound:moleculeId
891820
chemicalCompound:mwFreebase
200.28
chemicalCompound:alogp
3.558
chemicalCompound:hba
1
chemicalCompound:hbd
0
chemicalCompound:psa
17.82
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.843
chemicalCompound:acdLogD
3.838
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
236.74
chemicalCompound:acdMostBpk...
5.501
chemicalCompound:chemblId
CHEMBL1467936
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:991820
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:3666388
,
activity:4975623