546668

Source:http://linkedlifedata.com/resource/chembl/compound/546668

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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:666957
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18;/h4-13,20H,3,14-17H2,1-2H3;1H/t20?,22-;/m1./s1
chemicalCompound:standardIn...	OVGABYAKJODJRE-ATZSUDHOSA-N
chemicalCompound:canonicalS...	Cl.CCOC(=O)[C@]1(CC1CN(C)CCc2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	546668
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	4.253
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.555
chemicalCompound:acdLogD	2.342
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	9.671
chemicalCompound:chemblId	CHEMBL544342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646668
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:446193, activity:446194, activity:446195, activity:446196, activity:446197