862044

Source:http://linkedlifedata.com/resource/chembl/compound/862044

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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/C16H17N3O/c1-10-6-11(2)8-12(7-10)18-16-17-9-13-14(19-16)4-3-5-15(13)20/h6-9H,3-5H2,1-2H3,(H,17,18,19)
chemicalCompound:standardIn...	USZPQRMQYJIDII-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(Nc2ncc3C(=O)CCCc3n2)c1
chemicalCompound:molecularF...	C16H17N3O
chemicalCompound:moleculeId	862044
chemicalCompound:mwFreebase	267.326
chemicalCompound:alogp	2.986
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	54.88
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.147
chemicalCompound:acdLogD	2.147
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	267.326
chemicalCompound:acdMostBpk...	1.316
chemicalCompound:chemblId	CHEMBL1438160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:962044
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:3774917, activity:3802288, activity:3835279, activity:3861750, activity:3924598, activity:3954736, activity:4069753, activity:4209015, activity:4463109, activity:4619440, activity:4740207, activity:4785595, activity:4994836, activity:5652363, activity:5897512, activity:7140123, activity:7319611, activity:7422023, activity:7494923