480576

Source:http://linkedlifedata.com/resource/chembl/compound/480576

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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/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1
chemicalCompound:standardIn...	RNEOSZBYBZJIGX-CVEARBPZSA-N
chemicalCompound:canonicalS...	CN([C@H]([C@H](O)CN)c1ccccc1)c2ccccc2
chemicalCompound:molecularF...	C16H20N2O
chemicalCompound:moleculeId	480576
chemicalCompound:mwFreebase	256.343
chemicalCompound:alogp	2.264
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	49.48
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.155
chemicalCompound:acdLogP	2.194
chemicalCompound:acdLogD	0.98
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	256.343
chemicalCompound:acdMostBpk...	8.349
chemicalCompound:chemblId	CHEMBL504892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580576
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:2522752, activity:2522779, activity:2522803