251654

Source:http://linkedlifedata.com/resource/chembl/compound/251654

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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/C14H16N2O/c1-2-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16-14/h4-9,11H,2-3,10H2,1H3
chemicalCompound:standardIn...	CWDVFUCLYPBQNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOc1ccc(cc1)c2cnccn2
chemicalCompound:molecularF...	C14 H16 N2 O
chemicalCompound:moleculeId	251654
chemicalCompound:mwFreebase	228.29
chemicalCompound:alogp	2.788
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	35.01
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.451
chemicalCompound:acdLogD	3.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.29
chemicalCompound:acdMostBpk...	0.796
chemicalCompound:chemblId	CHEMBL150146
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:351654
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:485309, activity:485310, activity:485311, activity:485312, activity:485313, activity:485314