281078

Source:http://linkedlifedata.com/resource/chembl/compound/281078

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)
chemicalCompound:standardIn...	NHUMNXSOVZCLNK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(nc2CCCc12)N3CCc4ccccc4C3
chemicalCompound:molecularF...	C17 H19 N3
chemicalCompound:moleculeId	281078
chemicalCompound:mwFreebase	265.353
chemicalCompound:alogp	2.736
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	42.15
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.57
chemicalCompound:acdLogD	2.255
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	265.353
chemicalCompound:acdMostBpk...	8.919
chemicalCompound:chemblId	CHEMBL169469
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:381078
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:873177, activity:873178, activity:873179, activity:873180