49038

Source:http://linkedlifedata.com/resource/chembl/compound/49038

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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:114108
chemicalCompound:standardIn...	InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
chemicalCompound:standardIn...	YMKDRGPMQRFJGP-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1
chemicalCompound:molecularF...	C21H38ClN
chemicalCompound:moleculeId	49038
chemicalCompound:mwFreebase	304.533
chemicalCompound:alogp	8.237
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	3.88
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.763
chemicalCompound:acdLogD	2.763
chemicalCompound:fullMwt	339.986
chemicalCompound:chemblId	CHEMBL34833
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149038
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	CETYLPYRIDINIUM BROMIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32915
chemicalCompound:activity	activity:703681, activity:703682, activity:703683, activity:703684, activity:703685, activity:703686, activity:703687, activity:703688, activity:703689, activity:703690, activity:703691, activity:703692, activity:703693, activity:703694, activity:703695, activity:703696, activity:703697, activity:703698, activity:1299212, activity:1299213, activity:1299214, activity:1299215, activity:1299216, activity:1299217, activity:1299218, activity:1299219, activity:1299220, activity:1299221, activity:1299222, activity:1299223, activity:1299224, activity:1299225, activity:1299226, activity:1299227, activity:1299228, activity:1299229, activity:1299230, activity:1299231, activity:1299232, activity:1299233, activity:2160717, activity:2160718, activity:2160728, activity:2160735, activity:2160744, activity:2160751, activity:2160757, activity:2160758, activity:2160759, activity:2303772, activity:2562041, activity:2562055, activity:2562069, activity:2562083, activity:2562097, activity:3378415, activity:3779493, activity:3880461, activity:4116609, activity:4410846, activity:4486387, activity:4525433, activity:4567125, activity:4713559, activity:4999720, activity:5037194