446201

Source:http://linkedlifedata.com/resource/chembl/compound/446201

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
chemicalCompound:standardIn...	SEPQTYODOKLVSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=CC=O)C
chemicalCompound:molecularF...	C5H8O
chemicalCompound:moleculeId	446201
chemicalCompound:mwFreebase	84.1164
chemicalCompound:alogp	1.363
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.19
chemicalCompound:acdLogD	1.19
chemicalCompound:fullMwt	84.1164
chemicalCompound:chemblId	CHEMBL453815
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:546201
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:15825
chemicalCompound:activity	activity:2531900, activity:2531901, activity:2531902, activity:2531903, activity:2531904, activity:2531905, activity:2531906, activity:2531907, activity:2531908, activity:2531909, activity:2531910, activity:2531911, activity:2531912, activity:2531913