2080

Source:http://linkedlifedata.com/resource/chembl/compound/2080

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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:2080_Chloridin_TRADE_NAME, synonym:2080_Daraprim_TRADE_NAME, synonym:2080_Malacide_TRADE_NAME, synonym:2080_Pyrimethamine_BAN, synonym:2080_Pyrimethamine_FDA_ALTERNATIVE_NAME, synonym:2080_Pyrimethamine_INN, synonym:2080_Pyrimethamine_JAN, synonym:2080_Pyrimethamine_USAN, synonym:2080_Pyrimethamine_USP
chemicalCompound:standardIn...	InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	WKSAUQYGYAYLPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1nc(N)nc(N)c1c2ccc(Cl)cc2
chemicalCompound:molecularF...	C12H13ClN4
chemicalCompound:moleculeId	2080
chemicalCompound:mwFreebase	248.711
chemicalCompound:alogp	2.75
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	77.81
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.75
chemicalCompound:acdLogD	2.546
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	248.711
chemicalCompound:acdMostBpk...	7.175
chemicalCompound:chemblId	CHEMBL36
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102080
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	PYRIMETHAMINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8673
chemicalCompound:activity	activity:80275, activity:80276, activity:80277, activity:80278, activity:101791, activity:101792, activity:101793, activity:101794, activity:101795, activity:101796, activity:101797, activity:101798, activity:101799, activity:101800, activity:140763, activity:159571, activity:164187, activity:164188, activity:177404, activity:177405, activity:177406, activity:177407, activity:177408, activity:201037, activity:220986, activity:220987, activity:220988, activity:220989, activity:220990, activity:225847, activity:225848, activity:225849, activity:225850, activity:225851, activity:228204, activity:228325, activity:228326, activity:228327, activity:228328, activity:228329, activity:228330, activity:256270, activity:256271, activity:256272, activity:256273, activity:256274, activity:387593, activity:515174, activity:515175, activity:515176, activity:558320, activity:558321, activity:558322, activity:558323, activity:558324, activity:558325