199954

Source:http://linkedlifedata.com/resource/chembl/compound/199954

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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/C9H12O3/c1-3-4-8-9(11)7(10)5-6(2)12-8/h5,11H,3-4H2,1-2H3
chemicalCompound:standardIn...	MXVOQRVMUZXLTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC1=C(O)C(=O)C=C(C)O1
chemicalCompound:molecularF...	C9 H12 O3
chemicalCompound:moleculeId	199954
chemicalCompound:mwFreebase	168.19
chemicalCompound:alogp	1.271
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.565
chemicalCompound:acdLogP	1.389
chemicalCompound:acdLogD	1.361
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	168.19
chemicalCompound:chemblId	CHEMBL123932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299954
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:747981, activity:747982, activity:747983, activity:747984