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254953
Source:
http://linkedlifedata.com/resource/chembl/compound/254953
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Subject
(
39
)
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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/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6+
chemicalCompound:standardIn...
WHZLCOICKHIPRL-VOTSOKGWSA-N
chemicalCompound:canonicalS...
OC(=O)\C=C\C(=O)Nc1ccccc1
chemicalCompound:molecularF...
C10H9NO3
chemicalCompound:moleculeId
254953
chemicalCompound:mwFreebase
191.183
chemicalCompound:alogp
1.193
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
66.4
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
3.493
chemicalCompound:acdLogP
0
chemicalCompound:acdLogD
-3.682
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
191.183
chemicalCompound:acdMostBpk...
0.225
chemicalCompound:chemblId
CHEMBL346869
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:354953
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:1080238
,
activity:3190721
,
activity:3190761
,
activity:3190807
,
activity:3190853