452561

Source:http://linkedlifedata.com/resource/chembl/compound/452561

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:648042
chemicalCompound:standardIn...	InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H
chemicalCompound:standardIn...	WLDWDRZITJEWRJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC1C2CC3CC(CC1C3)C2
chemicalCompound:molecularF...	C10H18ClN
chemicalCompound:moleculeId	452561
chemicalCompound:mwFreebase	151.249
chemicalCompound:alogp	1.609
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.696
chemicalCompound:acdLogD	-0.244
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	187.71
chemicalCompound:acdMostBpk...	10.851
chemicalCompound:chemblId	CHEMBL447911
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:552561
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:2586116, activity:2586117, activity:2586128, activity:2586134, activity:2586135, activity:2586136