513679

Source:http://linkedlifedata.com/resource/chembl/compound/513679

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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/C10H17N/c1-8-3-7-4-9(8,2)6-10(7,11)5-8/h7H,3-6,11H2,1-2H3
chemicalCompound:standardIn...	WIXUOPRFBHHKGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC12CC3CC1(C)CC3(N)C2
chemicalCompound:molecularF...	C10H17N
chemicalCompound:moleculeId	513679
chemicalCompound:mwFreebase	151.249
chemicalCompound:alogp	1.062
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.949
chemicalCompound:acdLogD	-1.049
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	151.249
chemicalCompound:acdMostBpk...	11.077
chemicalCompound:chemblId	CHEMBL450375
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613679
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:2479418, activity:2479440, activity:2479508, activity:2480218, activity:2480248, activity:2480278, activity:2480308, activity:2480338, activity:2480368, activity:2480398, activity:2480428, activity:2480458, activity:2480488, activity:2480514, activity:6197270, activity:6197287, activity:6197304, activity:6197321, activity:6197339, activity:6197356, activity:6197373, activity:6197377, activity:6197924