452633

Source:http://linkedlifedata.com/resource/chembl/compound/452633

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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:70097
chemicalCompound:standardIn...	InChI=1S/C13H21N.ClH/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12,14H,1-8H2;1H
chemicalCompound:standardIn...	JZLIAHKBHSSGPI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.C1CNC2(C1)C3CC4CC(CC2C4)C3
chemicalCompound:molecularF...	C13H22ClN
chemicalCompound:moleculeId	452633
chemicalCompound:mwFreebase	191.313
chemicalCompound:alogp	2.358
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.26
chemicalCompound:acdLogD	0.297
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	227.773
chemicalCompound:acdMostBpk...	10.929
chemicalCompound:chemblId	CHEMBL473914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:552633
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:2586110, activity:2586111, activity:2586124, activity:2586160, activity:2586161, activity:2586162, activity:2586163