110858

Source:http://linkedlifedata.com/resource/chembl/compound/110858

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:110858_2-Acetylcyclopentanone_OTHER
chemicalCompound:standardIn...	InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3
chemicalCompound:standardIn...	OSWDNIFICGLKEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)C1CCCC1=O
chemicalCompound:molecularF...	C7 H10 O2
chemicalCompound:moleculeId	110858
chemicalCompound:mwFreebase	126.153
chemicalCompound:alogp	0.564
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.867
chemicalCompound:acdLogP	-0.332
chemicalCompound:acdLogD	-0.332
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	126.153
chemicalCompound:chemblId	CHEMBL305069
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:210858
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:922689, activity:5193501, activity:5193561, activity:5193595, activity:5193640, activity:5193650, activity:5194133, activity:5194213, activity:5194355, activity:5194359