1062557

Source:http://linkedlifedata.com/resource/chembl/compound/1062557

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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/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3
chemicalCompound:standardIn...	GUARKOVVHJSMRW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C(=O)C)C(=O)C
chemicalCompound:molecularF...	C7H12O2
chemicalCompound:moleculeId	1062557
chemicalCompound:mwFreebase	128.169
chemicalCompound:alogp	0.725
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	34.14
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.867
chemicalCompound:acdLogP	1.133
chemicalCompound:acdLogD	1.133
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	128.169
chemicalCompound:chemblId	CHEMBL1650634
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162557
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:5193437, activity:5193443, activity:5193477, activity:5193608, activity:5193609, activity:5194084, activity:5194183, activity:5194229, activity:5194352