942253

Source:http://linkedlifedata.com/resource/chembl/compound/942253

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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/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
chemicalCompound:standardIn...	YQHLDYVWEZKEOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(OO)c1ccccc1
chemicalCompound:molecularF...	C9H12O2
chemicalCompound:moleculeId	942253
chemicalCompound:mwFreebase	152.19
chemicalCompound:alogp	2.023
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.46
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.17
chemicalCompound:acdLogP	2.216
chemicalCompound:acdLogD	2.216
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	152.19
chemicalCompound:chemblId	CHEMBL1518369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1042253
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:3607455, activity:3657952, activity:3772668, activity:3774727, activity:3902756, activity:3919639, activity:3942292, activity:3951277, activity:4057133, activity:4074676, activity:4106315, activity:4145883, activity:4291391, activity:4463523, activity:4670704, activity:4714019, activity:4868826, activity:4872790, activity:4896347, activity:4901541, activity:4976431, activity:4980581, activity:5019539, activity:6073926, activity:6073964, activity:6073975, activity:6073986, activity:6469820, activity:7442783, activity:7472125, activity:7567082, activity:7995013