437211

Source:http://linkedlifedata.com/resource/chembl/compound/437211

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:437211_Betaxin_TRADE_NAME, synonym:437211_Thiamine (Vit B1)_INN, synonym:437211_Thiamine_FDA_ALTERNATIVE_NAME, synonym:437211_Vitamin B 1_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
chemicalCompound:standardIn...	JZRWCGZRTZMZEH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
chemicalCompound:molecularF...	C12H17N4OS
chemicalCompound:moleculeId	437211
chemicalCompound:mwFreebase	265.355
chemicalCompound:alogp	1.048
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	104.15
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-4.198
chemicalCompound:acdLogD	-4.199
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	265.355
chemicalCompound:acdMostBpk...	4.774
chemicalCompound:chemblId	CHEMBL1547
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:537211
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	THIAMINE (VIT B1)
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:18385
chemicalCompound:firstAppro...	1985
chemicalCompound:activity	activity:2099030, activity:2099035, activity:5316331, activity:5316999, activity:5317893, activity:5318844, activity:5319795, activity:7840118, activity:7840144