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685373
Source:
http://linkedlifedata.com/resource/chembl/compound/685373
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Subject
(
40
)
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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/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
chemicalCompound:standardIn...
NIXOWILDQLNWCW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
OC(=O)C=C
chemicalCompound:molecularF...
C3H4O2
chemicalCompound:moleculeId
685373
chemicalCompound:mwFreebase
72.0627
chemicalCompound:alogp
0.493
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
37.29
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
4.25
chemicalCompound:acdLogP
0.149
chemicalCompound:acdLogD
-2.904
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
72.0627
chemicalCompound:chemblId
CHEMBL1213529
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:785373
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
ACRYLIC ACID
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:18308
chemicalCompound:activity
activity:3396734
,
activity:3653132
,
activity:5757738
,
activity:6260317
,
activity:9333904