513678

Source:http://linkedlifedata.com/resource/chembl/compound/513678

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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/C11H19N/c1-12-7-11-5-8-2-9(6-11)4-10(11)3-8/h8-10,12H,2-7H2,1H3
chemicalCompound:standardIn...	AUQHHONRNXPYQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCC12CC3CC(CC1C3)C2
chemicalCompound:molecularF...	C11H19N
chemicalCompound:moleculeId	513678
chemicalCompound:mwFreebase	165.275
chemicalCompound:alogp	1.802
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.534
chemicalCompound:acdLogD	-0.382
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	165.275
chemicalCompound:acdMostBpk...	10.778
chemicalCompound:chemblId	CHEMBL456513
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613678
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:2479396, activity:2479419, activity:2479509, activity:2480219, activity:2480249, activity:2480279, activity:2480309, activity:2480339, activity:2480369, activity:2480399, activity:2480429, activity:2480459, activity:2480489, activity:2480515, activity:6197267, activity:6197284, activity:6197301, activity:6197318, activity:6197336, activity:6197353, activity:6197370, activity:6197921