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Sources
3989
Source:
http://linkedlifedata.com/resource/chembl/compound/3989
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Subject
(
38
)
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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/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h1,4H2,2-3H3
chemicalCompound:standardIn...
YYSDNLZCJQMZCZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC1(C)CC(=C)C(=O)O1
chemicalCompound:molecularF...
C7 H10 O2
chemicalCompound:moleculeId
3989
chemicalCompound:mwFreebase
126.153
chemicalCompound:alogp
1.336
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
26.3
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.568
chemicalCompound:acdLogD
0.568
chemicalCompound:fullMwt
126.153
chemicalCompound:chemblId
CHEMBL8760
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:103989
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:103989
chemicalCompound:activity
activity:601214
,
activity:601215
,
activity:601216
,
activity:601217
,
activity:601218
,
activity:601219