1062555

Source:http://linkedlifedata.com/resource/chembl/compound/1062555

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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/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
chemicalCompound:standardIn...	GSOHKPVFCOWKPU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C(=O)C)C(=O)C
chemicalCompound:molecularF...	C6H10O2
chemicalCompound:moleculeId	1062555
chemicalCompound:mwFreebase	114.142
chemicalCompound:alogp	0.269
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.828
chemicalCompound:acdLogP	0.623
chemicalCompound:acdLogD	0.623
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	114.142
chemicalCompound:chemblId	CHEMBL1650633
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162555
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:5193043, activity:5193469, activity:5193482, activity:5193500, activity:5193568, activity:5193777, activity:5194182, activity:5194230, activity:5194279