18121

Source:http://linkedlifedata.com/resource/chembl/compound/18121

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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/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
chemicalCompound:standardIn...	VBAHFEPKESUPDE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1CC(C)N
chemicalCompound:molecularF...	C10H15NO
chemicalCompound:moleculeId	18121
chemicalCompound:mwFreebase	165.232
chemicalCompound:alogp	1.618
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	35.25
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.812
chemicalCompound:acdLogD	-0.672
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	165.232
chemicalCompound:acdMostBpk...	10.003
chemicalCompound:chemblId	CHEMBL16451
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118121
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:239276, activity:239277, activity:239278, activity:239279, activity:239280, activity:239281, activity:239282, activity:243497, activity:243498, activity:248752, activity:497948, activity:497949, activity:817162, activity:817163, activity:1120974, activity:1120975