195444

Source:http://linkedlifedata.com/resource/chembl/compound/195444

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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:195444_4-Hydroxytrimethoprim_OTHER
chemicalCompound:standardIn...	InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	HPOCGNHBIFZCAN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
chemicalCompound:molecularF...	C13 H16 N4 O3
chemicalCompound:moleculeId	195444
chemicalCompound:mwFreebase	276.291
chemicalCompound:alogp	1.318
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.88
chemicalCompound:acdLogP	0.634
chemicalCompound:acdLogD	0.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	276.291
chemicalCompound:acdMostBpk...	6.918
chemicalCompound:chemblId	CHEMBL1181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295444
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:375029, activity:382380, activity:382381, activity:382382, activity:382383, activity:621724, activity:621725, activity:670437, activity:670438, activity:670439, activity:670440, activity:670441, activity:670442, activity:670443, activity:670444, activity:670445, activity:670446, activity:1128325, activity:1128326, activity:1128327, activity:1128328, activity:1128329, activity:1128330, activity:1128331, activity:1128332