166039

Source:http://linkedlifedata.com/resource/chembl/compound/166039

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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/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
chemicalCompound:standardIn...	LTPVSOCPYWDIFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCN)cc1
chemicalCompound:molecularF...	C9H13NO
chemicalCompound:moleculeId	166039
chemicalCompound:mwFreebase	151.206
chemicalCompound:alogp	1.24
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	35.25
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.324
chemicalCompound:acdLogD	-1.128
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	151.206
chemicalCompound:acdMostBpk...	9.961
chemicalCompound:chemblId	CHEMBL101036
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:266039
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:266039
chemicalCompound:activity	activity:232895, activity:723161, activity:723162, activity:2558496, activity:2558563, activity:6440063