374543

Source:http://linkedlifedata.com/resource/chembl/compound/374543

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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:115
chemicalCompound:standardIn...	InChI=1S/C10H14N2.ClH/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;/h2,4,6,8,10H,3,5,7H2,1H3;1H/t10-;/m0./s1
chemicalCompound:standardIn...	HDJBTCAJIMNXEW-PPHPATTJSA-N
chemicalCompound:canonicalS...	Cl.CN1CCC[C@H]1c2cccnc2
chemicalCompound:molecularF...	C10 H14 N2 . Cl H
chemicalCompound:moleculeId	374543
chemicalCompound:mwFreebase	162.232
chemicalCompound:alogp	1.242
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.57
chemicalCompound:acdLogD	-0.617
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	198.693
chemicalCompound:acdMostBpk...	8
chemicalCompound:chemblId	CHEMBL225057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:474543
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	NICOTINE HYDROCHLORIDE
chemicalCompound:activity	activity:1847043, activity:1847044, activity:1847045, activity:1847046, activity:1847047