547391

Source:http://linkedlifedata.com/resource/chembl/compound/547391

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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:669968
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c24-22(25)21-12-7-14-23(17-21)15-13-20(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18;/h1-6,8-11,20-21H,7,12-17H2,(H,24,25);1H
chemicalCompound:standardIn...	HMXMDASIOACEAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.OC(=O)C1CCCN(CCC(Cc2ccccc2)c3ccccc3)C1
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	547391
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	1.623
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.874
chemicalCompound:acdLogP	4.317
chemicalCompound:acdLogD	1.816
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	10.296
chemicalCompound:chemblId	CHEMBL555779
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647391
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:745774