1068863

Source:http://linkedlifedata.com/resource/chembl/compound/1068863

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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/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)
chemicalCompound:standardIn...	GVGYEFKIHJTNQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O
chemicalCompound:molecularF...	C16H19NO4
chemicalCompound:moleculeId	1068863
chemicalCompound:mwFreebase	289.326
chemicalCompound:alogp	-1.142
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	66.84
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.348
chemicalCompound:acdLogP	2.263
chemicalCompound:acdLogD	-0.237
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	289.326
chemicalCompound:acdMostBpk...	10.827
chemicalCompound:chemblId	CHEMBL1671895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168863
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:5218991, activity:5603123, activity:5899018, activity:6635178, activity:6731188, activity:6871951