699433

Source:http://linkedlifedata.com/resource/chembl/compound/699433

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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:880
chemicalCompound:synonym	synonym:699433_Mecamylamine chloride_BAN, synonym:699433_Mecamylamine_INN
chemicalCompound:standardIn...	InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H
chemicalCompound:standardIn...	PKVZBNCYEICAQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CNC1(C)C2CCC(C2)C1(C)C
chemicalCompound:molecularF...	C11H22ClN
chemicalCompound:moleculeId	699433
chemicalCompound:mwFreebase	167.291
chemicalCompound:alogp	2.183
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.978
chemicalCompound:acdLogD	-0.065
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	203.752
chemicalCompound:acdMostBpk...	11.353
chemicalCompound:chemblId	CHEMBL1237082
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:799433
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	MECAMYLAMINE HYDROCHLORIDE
chemicalCompound:activity	activity:3988145, activity:4278590, activity:6955348, activity:7437312, activity:7517425, activity:7538994