544418

Source:http://linkedlifedata.com/resource/chembl/compound/544418

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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:666872
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23;/h6-13H,2-5,14-17H2,1H3;1H
chemicalCompound:standardIn...	JTIIPPNQSNPJSH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	544418
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	4.584
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.411
chemicalCompound:acdLogD	2.935
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	8.871
chemicalCompound:chemblId	CHEMBL544243
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644418
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:457163, activity:457164, activity:457165