21966

Source:http://linkedlifedata.com/resource/chembl/compound/21966

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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/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3
chemicalCompound:standardIn...	IWYGVDBZCSCJGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(C)Cc1cc(OC)c(C)cc1OC
chemicalCompound:molecularF...	C13 H21 N O2
chemicalCompound:moleculeId	21966
chemicalCompound:mwFreebase	223.311
chemicalCompound:alogp	2.519
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	30.49
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.632
chemicalCompound:acdLogD	-0.003
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	223.311
chemicalCompound:acdMostBpk...	10.217
chemicalCompound:chemblId	CHEMBL19044
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121966
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:244769, activity:244770