957280

Source:http://linkedlifedata.com/resource/chembl/compound/957280

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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/C14H14N2O2/c1-2-13-14(18-8-7-17-13)9-12(1)16-10-11-3-5-15-6-4-11/h1-6,9,16H,7-8,10H2
chemicalCompound:standardIn...	ZEHRBOVXNPCYAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(Nc1ccc2OCCOc2c1)c3ccncc3
chemicalCompound:molecularF...	C14H14N2O2
chemicalCompound:moleculeId	957280
chemicalCompound:mwFreebase	242.273
chemicalCompound:alogp	1.857
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	43.38
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.225
chemicalCompound:acdLogD	1.222
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	242.273
chemicalCompound:acdMostBpk...	5.349
chemicalCompound:chemblId	CHEMBL1533396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1057280
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:4304075, activity:4926311, activity:5560385, activity:5688483, activity:5966167, activity:6860586, activity:7261305, activity:7344383, activity:7540462, activity:7947747, activity:7947758