515305

Source:http://linkedlifedata.com/resource/chembl/compound/515305

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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/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
chemicalCompound:standardIn...	QFOHBWFCKVYLES-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOC(=O)c1ccc(O)cc1
chemicalCompound:molecularF...	C11H14O3
chemicalCompound:moleculeId	515305
chemicalCompound:mwFreebase	194.227
chemicalCompound:alogp	2.772
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.219
chemicalCompound:acdLogP	3.41
chemicalCompound:acdLogD	3.349
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	194.227
chemicalCompound:chemblId	CHEMBL459008
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:615305
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:2385477, activity:3627575, activity:3637612, activity:3819981, activity:3887337, activity:3912213, activity:4005928, activity:4633870, activity:4718913, activity:4745696, activity:4919283, activity:4965875, activity:5648948, activity:5952020, activity:5999430, activity:6010121, activity:6021680, activity:6024971, activity:6050339, activity:6469759, activity:6558619, activity:6815632, activity:6962292, activity:7047100, activity:7300881, activity:7425233, activity:7457943, activity:9342569, activity:10406334