522563

Source:http://linkedlifedata.com/resource/chembl/compound/522563

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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:1022
chemicalCompound:synonym	synonym:522563_Arecoline hydrobromide_OTHER
chemicalCompound:standardIn...	InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
chemicalCompound:standardIn...	AXOJRQLKMVSHHZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.COC(=O)C1=CCCN(C)C1
chemicalCompound:molecularF...	C8H14BrNO2
chemicalCompound:moleculeId	522563
chemicalCompound:mwFreebase	155.194
chemicalCompound:alogp	0.743
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.2
chemicalCompound:acdLogD	-0.775
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.106
chemicalCompound:acdMostBpk...	7.842
chemicalCompound:chemblId	CHEMBL449209
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:622563
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	ARECOLINE HYDROBROMIDE
chemicalCompound:activity	activity:304288, activity:304289, activity:2297759, activity:3472951, activity:3974202, activity:4402344, activity:4745418, activity:4753895, activity:4945777, activity:5441865, activity:5712949, activity:5860821, activity:6611265