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764677
Source:
http://linkedlifedata.com/resource/chembl/compound/764677
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Subject
(
35
)
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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/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
chemicalCompound:standardIn...
UFFBMTHBGFGIHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cccc(C)c1N
chemicalCompound:molecularF...
C8H11N
chemicalCompound:moleculeId
764677
chemicalCompound:mwFreebase
121.18
chemicalCompound:alogp
2.055
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
26.02
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.631
chemicalCompound:acdLogD
1.631
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
121.18
chemicalCompound:acdMostBpk...
4.306
chemicalCompound:chemblId
CHEMBL1340793
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:864677
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:28738
chemicalCompound:activity
activity:5979097