468559

Source:http://linkedlifedata.com/resource/chembl/compound/468559

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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/C15H18N2O3/c18-9-13-15(20)14(19)8-17(13)7-11-6-5-10-3-1-2-4-12(10)16-11/h1-6,13-15,18-20H,7-9H2/t13-,14+,15-/m1/s1
chemicalCompound:standardIn...	XSBWIEPEAWSJMA-QLFBSQMISA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2ccc3ccccc3n2
chemicalCompound:molecularF...	C15H18N2O3
chemicalCompound:moleculeId	468559
chemicalCompound:mwFreebase	274.315
chemicalCompound:alogp	0.591
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	76.82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.179
chemicalCompound:acdLogD	1.08
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	274.315
chemicalCompound:acdMostBpk...	6.869
chemicalCompound:chemblId	CHEMBL481517
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:568559
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:2452919, activity:3485464, activity:3485617, activity:3487538, activity:3487593