702941

Source:http://linkedlifedata.com/resource/chembl/compound/702941

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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/C12H12N2O2/c1-14-5-4-13-12(14)11-7-8-6-9(15)2-3-10(8)16-11/h2-3,6-7,15H,4-5H2,1H3
chemicalCompound:standardIn...	PKCKIQAGCZXSPL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN=C1c2oc3ccc(O)cc3c2
chemicalCompound:molecularF...	C12H12N2O2
chemicalCompound:moleculeId	702941
chemicalCompound:mwFreebase	216.236
chemicalCompound:alogp	1.676
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	48.97
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.718
chemicalCompound:acdLogP	1.371
chemicalCompound:acdLogD	-0.536
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	216.236
chemicalCompound:acdMostBpk...	10.316
chemicalCompound:chemblId	CHEMBL1253487
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:802941
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:3466366, activity:3466379, activity:3466392, activity:3466405, activity:3466418