280580

Source:http://linkedlifedata.com/resource/chembl/compound/280580

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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/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
chemicalCompound:standardIn...	YSDYZWDWFNMKFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(N)cc(n1)N2CCc3ccccc3C2
chemicalCompound:molecularF...	C15 H17 N3
chemicalCompound:moleculeId	280580
chemicalCompound:mwFreebase	239.316
chemicalCompound:alogp	1.954
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	42.15
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.413
chemicalCompound:acdLogD	2.265
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	239.316
chemicalCompound:acdMostBpk...	8.75
chemicalCompound:chemblId	CHEMBL166697
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:380580
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:885370, activity:885371, activity:885372, activity:885373