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Sources
321600
Source:
http://linkedlifedata.com/resource/chembl/compound/321600
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Subject
(
37
)
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Inference
Explicit and implicit
Explicit only
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
chemicalCompound:standardIn...
JLTDJTHDQAWBAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)c1ccccc1
chemicalCompound:molecularF...
C8H11N
chemicalCompound:moleculeId
321600
chemicalCompound:mwFreebase
121.18
chemicalCompound:alogp
1.992
chemicalCompound:hba
1
chemicalCompound:hbd
0
chemicalCompound:psa
3.24
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.135
chemicalCompound:acdLogD
2.133
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
121.18
chemicalCompound:acdMostBpk...
5.1
chemicalCompound:chemblId
CHEMBL371654
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:421600
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:16269
chemicalCompound:activity
activity:1504137
,
activity:2385362
,
activity:7565994