674534

Source:http://linkedlifedata.com/resource/chembl/compound/674534

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:675244
chemicalCompound:synonym	synonym:674534_Acamprosate Calcium_USAN, synonym:674534_Acamprosate_BAN, synonym:674534_Acamprosate_INN
chemicalCompound:standardIn...	InChI=1S/C5H11NO4S.Ca/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+2/p-1
chemicalCompound:standardIn...	WPEXQWVYZZXPJW-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Ca+2].CC(=O)NCCCS(=O)(=O)[O-]
chemicalCompound:molecularF...	C5H10CaNO4S
chemicalCompound:moleculeId	674534
chemicalCompound:mwFreebase	181.21
chemicalCompound:alogp	-1.159
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	91.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.696
chemicalCompound:acdLogP	-2.677
chemicalCompound:acdLogD	-6.175
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	220.28
chemicalCompound:chemblId	CHEMBL1200583
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774534
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ACAMPROSATE CALCIUM
chemicalCompound:firstAppro...	2004