881699

Source:http://linkedlifedata.com/resource/chembl/compound/881699

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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/C17H16N2O2/c1-21-15-7-8-16-12(10-15)9-13(17(20)19-16)11-18-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,19,20)
chemicalCompound:standardIn...	YDCKNTBIYVLWHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2nc(O)c(CNc3ccccc3)cc2c1
chemicalCompound:molecularF...	C17H16N2O2
chemicalCompound:moleculeId	881699
chemicalCompound:mwFreebase	280.321
chemicalCompound:alogp	3.689
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	54.38
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.616
chemicalCompound:acdLogD	2.612
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	280.321
chemicalCompound:acdMostBpk...	9.114
chemicalCompound:chemblId	CHEMBL1457815
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:981699
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:3804393, activity:4209763, activity:4301147, activity:4336431, activity:4359295, activity:4467966, activity:4513205, activity:4520931, activity:4531974, activity:4586846, activity:4982655, activity:5426540, activity:5529580, activity:5577451, activity:5686257, activity:5868733, activity:6454143, activity:6588943, activity:6728305, activity:6804664, activity:6857845, activity:6992500, activity:7165690, activity:7333950, activity:7380836, activity:10106296