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1274621
Source:
http://linkedlifedata.com/resource/chembl/compound/1274621
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Subject
(
36
)
Predicate
Object
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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/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3
chemicalCompound:standardIn...
GEEFPQBPVBFCSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cc(on1)C2CC3CCC2N3
chemicalCompound:molecularF...
C10H14N2O
chemicalCompound:moleculeId
1274621
chemicalCompound:mwFreebase
178.231
chemicalCompound:alogp
1
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
38.06
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.279
chemicalCompound:acdLogD
-1.233
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
178.231
chemicalCompound:acdMostBpk...
10.141
chemicalCompound:chemblId
CHEMBL1939773
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1374621
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:8011480
,
activity:8011491
,
activity:8011505