48199

Source:http://linkedlifedata.com/resource/chembl/compound/48199

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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/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14?,16-/m1/s1
chemicalCompound:standardIn...	JOWTXKLQSINMKI-BZSJEYESSA-N
chemicalCompound:canonicalS...	C[C@](O)(C(=O)OC1CN2CCC1CC2)c3ccccc3
chemicalCompound:molecularF...	C16 H21 N O3
chemicalCompound:moleculeId	48199
chemicalCompound:mwFreebase	275.343
chemicalCompound:alogp	1.915
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.157
chemicalCompound:acdLogP	1.218
chemicalCompound:acdLogD	-0.138
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	275.343
chemicalCompound:acdMostBpk...	8.745
chemicalCompound:chemblId	CHEMBL35230
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148199
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:332755, activity:332756, activity:332757, activity:332758, activity:332759, activity:332760, activity:332761, activity:332762, activity:339192, activity:339193, activity:339194, activity:339195, activity:339196, activity:339197, activity:339198, activity:339199