280489

Source:http://linkedlifedata.com/resource/chembl/compound/280489

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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/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
chemicalCompound:standardIn...	MLZJNABNOIALND-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(NCCO)cc(n1)N2CCc3ccccc3C2
chemicalCompound:molecularF...	C17 H21 N3 O
chemicalCompound:moleculeId	280489
chemicalCompound:mwFreebase	283.368
chemicalCompound:alogp	1.97
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	48.39
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.288
chemicalCompound:acdLogD	-0.282
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	283.368
chemicalCompound:acdMostBpk...	9.962
chemicalCompound:chemblId	CHEMBL170552
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:380489
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:897304, activity:897305, activity:897306, activity:897307