960973

Source:http://linkedlifedata.com/resource/chembl/compound/960973

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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/c20-16(21)11-6-12-19-15-10-5-4-9-14(15)17(18-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,20,21)
chemicalCompound:standardIn...	UUKDWBQHMNJNMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCCn1nc(c2ccccc2)c3ccccc13
chemicalCompound:molecularF...	C17H16N2O2
chemicalCompound:moleculeId	960973
chemicalCompound:mwFreebase	280.321
chemicalCompound:alogp	3.677
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.12
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.647
chemicalCompound:acdLogP	4.003
chemicalCompound:acdLogD	1.273
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	280.321
chemicalCompound:acdMostBpk...	1.228
chemicalCompound:chemblId	CHEMBL1537089
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060973
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:3685331, activity:3710264, activity:3910833, activity:4437299, activity:4620293, activity:4742413, activity:6567768