550361

Source:http://linkedlifedata.com/resource/chembl/compound/550361

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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:670497
chemicalCompound:standardIn...	InChI=1S/C18H26N2O2.ClH/c1-13(22-4)9-10-18(21)14-7-5-6-8-15(14)20-12-17(2,3)11-19-16(18)20;/h5-8,13,21H,9-12H2,1-4H3;1H
chemicalCompound:standardIn...	YRMOWMJOINYCFY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(C)CCC1(O)C2=NCC(C)(C)CN2c3ccccc13
chemicalCompound:molecularF...	C18H27ClN2O2
chemicalCompound:moleculeId	550361
chemicalCompound:mwFreebase	302.411
chemicalCompound:alogp	2.218
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	45.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.344
chemicalCompound:acdLogP	1.238
chemicalCompound:acdLogD	-0.752
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	338.872
chemicalCompound:acdMostBpk...	12.602
chemicalCompound:chemblId	CHEMBL557384
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650361
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:648077, activity:648078, activity:648079