454511

Source:http://linkedlifedata.com/resource/chembl/compound/454511

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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/C13H20N2O/c14-8-6-12(7-9-15)13(16)10-11-4-2-1-3-5-11/h1-5,12H,6-10,14-15H2
chemicalCompound:standardIn...	GWIBZKSBLOHLAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCC(CCN)C(=O)Cc1ccccc1
chemicalCompound:molecularF...	C13H20N2O
chemicalCompound:moleculeId	454511
chemicalCompound:mwFreebase	220.311
chemicalCompound:alogp	0.606
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	69.11
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.878
chemicalCompound:acdLogD	-2.735
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	220.311
chemicalCompound:acdMostBpk...	9.868
chemicalCompound:chemblId	CHEMBL446237
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554511
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ANFEPRAMONE
chemicalCompound:activity	activity:2588810, activity:2588856, activity:3394556, activity:3394557, activity:3394558, activity:3394559, activity:3394560, activity:3394561, activity:3394562, activity:3394563, activity:3394564, activity:3394565, activity:3394566, activity:3394567, activity:3394568, activity:3394569, activity:3394570, activity:3394571