543182

Source:http://linkedlifedata.com/resource/chembl/compound/543182

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1425
chemicalCompound:standardIn...	InChI=1S/C19H31NO3.ClH/c1-15(2)20-13-17(21)14-23-19-9-7-16(8-10-19)11-12-22-18-5-3-4-6-18;/h7-10,15,17-18,20-21H,3-6,11-14H2,1-2H3;1H
chemicalCompound:standardIn...	NPNANRHBWOTLLI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)NCC(O)COc1ccc(CCOC2CCCC2)cc1
chemicalCompound:molecularF...	C19H32ClNO3
chemicalCompound:moleculeId	543182
chemicalCompound:mwFreebase	321.454
chemicalCompound:alogp	3.159
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.892
chemicalCompound:acdLogP	3.077
chemicalCompound:acdLogD	0.975
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	357.915
chemicalCompound:acdMostBpk...	9.435
chemicalCompound:chemblId	CHEMBL542536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643182
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:1000514, activity:1000515, activity:1000516, activity:1000517