704803

Source:http://linkedlifedata.com/resource/chembl/compound/704803

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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/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18)
chemicalCompound:standardIn...	CYIYSZYKJGXBSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccccc1)OCCCc2cccnc2
chemicalCompound:molecularF...	C15H16N2O2
chemicalCompound:moleculeId	704803
chemicalCompound:mwFreebase	256.3
chemicalCompound:alogp	2.803
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	51.22
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.735
chemicalCompound:acdLogP	2.719
chemicalCompound:acdLogD	2.715
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	256.3
chemicalCompound:acdMostBpk...	5.382
chemicalCompound:chemblId	CHEMBL1255822
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804803
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:3507188, activity:3507210, activity:3507232, activity:3507254