833506

Source:http://linkedlifedata.com/resource/chembl/compound/833506

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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/c1-10(2)7-8-17-16(18)15-11(3)13-9-12(19-4)5-6-14(13)20-15/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
chemicalCompound:standardIn...	FYTJXQIQFWPZMS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2oc(C(=O)NCCC(C)C)c(C)c2c1
chemicalCompound:molecularF...	C16H21NO3
chemicalCompound:moleculeId	833506
chemicalCompound:mwFreebase	275.343
chemicalCompound:alogp	3.683
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	51.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.586
chemicalCompound:acdLogD	3.586
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.343
chemicalCompound:chemblId	CHEMBL1409622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:933506
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:3714298, activity:3802361, activity:3835842, activity:3861817, activity:4133206, activity:4209974, activity:4601279, activity:4714272, activity:4740246, activity:4998746, activity:5427942, activity:5653399, activity:5886449, activity:6544777, activity:6646041, activity:6756446, activity:7151249, activity:7323334, activity:7425800, activity:7502035, activity:8348142, activity:10062096