703964

Source:http://linkedlifedata.com/resource/chembl/compound/703964

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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/C18H16N2O2/c21-15-6-7-16-14(10-15)11-17(22-16)18-19-8-9-20(18)12-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2
chemicalCompound:standardIn...	NHMYNNSVHZTKBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2oc(cc2c1)C3=NCCN3Cc4ccccc4
chemicalCompound:molecularF...	C18H16N2O2
chemicalCompound:moleculeId	703964
chemicalCompound:mwFreebase	292.332
chemicalCompound:alogp	3.259
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	48.97
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.718
chemicalCompound:acdLogP	2.991
chemicalCompound:acdLogD	1.143
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	292.332
chemicalCompound:acdMostBpk...	10.09
chemicalCompound:chemblId	CHEMBL1254500
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:803964
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:3466369, activity:3466382, activity:3466395, activity:3466408, activity:3466421