1079868

Source:http://linkedlifedata.com/resource/chembl/compound/1079868

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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/C11H12N2O2/c1-14-9-6-8(12)10-7(11(9)15-2)4-3-5-13-10/h3-6H,12H2,1-2H3
chemicalCompound:standardIn...	RDFZQTDLGKFDNB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(N)c2ncccc2c1OC
chemicalCompound:molecularF...	C11H12N2O2
chemicalCompound:moleculeId	1079868
chemicalCompound:mwFreebase	204.225
chemicalCompound:alogp	1.236
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	57.37
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.583
chemicalCompound:acdLogD	1.582
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	204.225
chemicalCompound:acdMostBpk...	3.385
chemicalCompound:chemblId	CHEMBL1699137
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1179868
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:5503392, activity:6722608, activity:6758145, activity:7066601, activity:7464665