674820

Source:http://linkedlifedata.com/resource/chembl/compound/674820

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:27912
chemicalCompound:synonym	synonym:674820_Metronidazole Hydrochloride_USAN, synonym:674820_SC-32642_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H
chemicalCompound:standardIn...	FPTPAIQTXYFGJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ncc([N+](=O)[O-])n1CCO
chemicalCompound:molecularF...	C6H10ClN3O3
chemicalCompound:moleculeId	674820
chemicalCompound:mwFreebase	171.154
chemicalCompound:alogp	-0.337
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	83.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	-0.135
chemicalCompound:acdLogD	-0.135
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	207.615
chemicalCompound:acdMostBpk...	2.578
chemicalCompound:chemblId	CHEMBL1200869
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774820
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	METRONIDAZOLE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:50687