199872

Source:http://linkedlifedata.com/resource/chembl/compound/199872

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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/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
chemicalCompound:standardIn...	YIKYNHJUKRTCJL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1=C(O)C(=O)C=CO1
chemicalCompound:molecularF...	C7 H8 O3
chemicalCompound:moleculeId	199872
chemicalCompound:mwFreebase	140.137
chemicalCompound:alogp	0.301
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.38
chemicalCompound:acdLogP	0.58
chemicalCompound:acdLogD	0.537
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	140.137
chemicalCompound:chemblId	CHEMBL121557
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299872
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:724097, activity:724098, activity:724099, activity:724100, activity:5186733, activity:5193044, activity:5193471, activity:5193511, activity:5193695, activity:5193757, activity:5194136, activity:5194140, activity:5194372