551481

Source:http://linkedlifedata.com/resource/chembl/compound/551481

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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:193378
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17;/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3;1H
chemicalCompound:standardIn...	HAVGFWRWZMEOLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(cc1)C(OC2CC3CCC(C2)N3C)c4ccccc4
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	551481
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	3.858
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	21.7
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.163
chemicalCompound:acdLogD	1.359
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	10.511
chemicalCompound:chemblId	CHEMBL557818
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651481
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:624247, activity:624248