94736

Source:http://linkedlifedata.com/resource/chembl/compound/94736

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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/C14H16N2O2/c1-10(2)14(13-15-7-8-16-13)9-17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H,15,16)
chemicalCompound:standardIn...	NWQNAHNOSRIILV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C1(COc2ccccc2O1)C3=NCCN3
chemicalCompound:molecularF...	C14 H16 N2 O2
chemicalCompound:moleculeId	94736
chemicalCompound:mwFreebase	244.289
chemicalCompound:alogp	1.916
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	42.85
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.35
chemicalCompound:acdLogD	1.594
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	244.289
chemicalCompound:acdMostBpk...	9.515
chemicalCompound:chemblId	CHEMBL61234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:194736
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:876479, activity:876480, activity:876481, activity:876482, activity:876483, activity:879018, activity:879019, activity:879020, activity:879021, activity:879022, activity:899617, activity:899618, activity:899619, activity:899620, activity:899621