87237

Source:http://linkedlifedata.com/resource/chembl/compound/87237

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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:87237_Metioprim_OTHER
chemicalCompound:standardIn...	InChI=1S/C14H18N4O2S/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
chemicalCompound:standardIn...	HRZQMMXCASMDBP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1SC
chemicalCompound:molecularF...	C14 H18 N4 O2 S
chemicalCompound:moleculeId	87237
chemicalCompound:mwFreebase	306.383
chemicalCompound:alogp	2.101
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	121.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.51
chemicalCompound:acdLogD	1.388
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	306.383
chemicalCompound:acdMostBpk...	6.9
chemicalCompound:chemblId	CHEMBL56318
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187237
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:357505, activity:492868, activity:492869, activity:638466, activity:642201, activity:736942, activity:736943, activity:999058, activity:999059, activity:999060