111

Source:http://linkedlifedata.com/resource/chembl/compound/111

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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:23001
chemicalCompound:synonym	synonym:111_Zomax_TRADE_NAME, synonym:111_Zomepirac sodium_OTHER
chemicalCompound:standardIn...	InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1
chemicalCompound:standardIn...	SEEXPXUCHVGZGU-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Na+].Cc1cc(CC(=O)[O-])n(C)c1C(=O)c2ccc(Cl)cc2
chemicalCompound:molecularF...	C15 H13 Cl N O3 . Na
chemicalCompound:moleculeId	111
chemicalCompound:mwFreebase	291.73
chemicalCompound:alogp	3.931
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	59.3
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.198
chemicalCompound:acdLogP	3.361
chemicalCompound:acdLogD	0.268
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	313.711
chemicalCompound:chemblId	CHEMBL266459
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100111
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	Zomepirac Sodium
chemicalCompound:activity	activity:187932, activity:187933, activity:187934, activity:187935, activity:187936, activity:3660850, activity:3884764, activity:3925780, activity:3926852, activity:4147492, activity:4377820, activity:4620551, activity:5455955, activity:5601119, activity:5998058, activity:6042486, activity:6058162, activity:6061279, activity:6063670, activity:6445108, activity:6447230, activity:6549684, activity:6803286, activity:6857695, activity:7026049, activity:7047101, activity:7148411, activity:7224281, activity:7457944