468467

Source:http://linkedlifedata.com/resource/chembl/compound/468467

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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/C16H20N2O3/c19-11-14-16(21)15(20)10-18(14)9-12-3-5-13(6-4-12)17-7-1-2-8-17/h1-8,14-16,19-21H,9-11H2/t14-,15+,16-/m1/s1
chemicalCompound:standardIn...	QYYUZGDIVXENOZ-OWCLPIDISA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2ccc(cc2)n3cccc3
chemicalCompound:molecularF...	C16H20N2O3
chemicalCompound:moleculeId	468467
chemicalCompound:mwFreebase	288.342
chemicalCompound:alogp	1.066
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	68.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.459
chemicalCompound:acdLogD	1.353
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.342
chemicalCompound:acdMostBpk...	6.588
chemicalCompound:chemblId	CHEMBL480171
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:568467
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:2452928, activity:3485451, activity:3485543, activity:3485604, activity:3485659, activity:3487580