548072

Source:http://linkedlifedata.com/resource/chembl/compound/548072

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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:668959
chemicalCompound:standardIn...	InChI=1S/C13H16N2O.ClH/c1-8-3-4-9(2)12-10(8)7-11(16-12)13-14-5-6-15-13;/h3-4,11H,5-7H2,1-2H3,(H,14,15);1H
chemicalCompound:standardIn...	LGSWEMVQYKCVAS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(C)c2OC(Cc12)C3=NCCN3
chemicalCompound:molecularF...	C13H17ClN2O
chemicalCompound:moleculeId	548072
chemicalCompound:mwFreebase	216.279
chemicalCompound:alogp	2.135
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	33.61
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.135
chemicalCompound:acdLogD	1.257
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	252.74
chemicalCompound:acdMostBpk...	9.882
chemicalCompound:chemblId	CHEMBL553723
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648072
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:1060117, activity:1060118, activity:1060119, activity:1060120