546628

Source:http://linkedlifedata.com/resource/chembl/compound/546628

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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:665097
chemicalCompound:standardIn...	InChI=1S/C14H19NO2.ClH/c1-15(2)10-12-9-14(12,13(16)17-3)11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3;1H/t12?,14-;/m1./s1
chemicalCompound:standardIn...	OKXPSPGUYPUREQ-QQVJCTLCSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)[C@]1(CC1CN(C)C)c2ccccc2
chemicalCompound:molecularF...	C14H20ClNO2
chemicalCompound:moleculeId	546628
chemicalCompound:mwFreebase	233.306
chemicalCompound:alogp	1.999
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.11
chemicalCompound:acdLogD	-0.103
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	269.767
chemicalCompound:acdMostBpk...	9.671
chemicalCompound:chemblId	CHEMBL542203
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646628
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:462933, activity:462934, activity:462935, activity:462936, activity:462937