84644

Source:http://linkedlifedata.com/resource/chembl/compound/84644

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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:675239
chemicalCompound:synonym	synonym:84644_Dantrium_TRADE_NAME, synonym:84644_Dantrolene Sodium_BAN, synonym:84644_Dantrolene Sodium_JAN, synonym:84644_Dantrolene Sodium_USAN, synonym:84644_Dantrolene sodium_FDA_ALTERNATIVE_NAME, synonym:84644_Dantrolene sodium_TRADE_NAME, synonym:84644_F-440_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;
chemicalCompound:standardIn...	KSRLIXGNPXAZHD-HAZZGOGXSA-M
chemicalCompound:canonicalS...	[Na+].[O-][N+](=O)c1ccc(cc1)c2oc(\C=N\N3CC(=O)[N-]C3=O)cc2
chemicalCompound:molecularF...	C14 H9 N4 O5 . Na
chemicalCompound:moleculeId	84644
chemicalCompound:mwFreebase	314.253
chemicalCompound:alogp	1.79
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.72
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.679
chemicalCompound:acdLogP	1.069
chemicalCompound:acdLogD	0.888
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.235
chemicalCompound:chemblId	CHEMBL928
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184644
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DANTROLENE SODIUM
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:184644
chemicalCompound:activity	activity:814660, activity:814661, activity:814662, activity:843871, activity:860012, activity:860013, activity:860014, activity:3488126, activity:3488127, activity:3488128, activity:3488129, activity:3488130, activity:3488131, activity:3492342, activity:3693444, activity:3697277, activity:3897399, activity:3909614, activity:3974285, activity:4056106, activity:4279559, activity:4358810, activity:4370188, activity:4536329, activity:4539114, activity:4753971, activity:4886002, activity:4974417, activity:5316411, activity:5316583, activity:5317269, activity:5318220, activity:5319171, activity:5856668, activity:5876656