675062

Source:http://linkedlifedata.com/resource/chembl/compound/675062

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:3183
chemicalCompound:synonym	synonym:675062_GR-38032F_RESEARCH_CODE, synonym:675062_Ondansetron Hydrochloride_JAN, synonym:675062_Ondansetron Hydrochloride_USAN
chemicalCompound:standardIn...	InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H
chemicalCompound:standardIn...	MKBLHFILKIKSQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C
chemicalCompound:molecularF...	C18H20ClN3O
chemicalCompound:moleculeId	675062
chemicalCompound:mwFreebase	293.363
chemicalCompound:alogp	2.634
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	39.82
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.555
chemicalCompound:acdLogD	1.201
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.824
chemicalCompound:acdMostBpk...	7.502
chemicalCompound:chemblId	CHEMBL1201111
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775062
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ONDANSETRON HYDROCHLORIDE
chemicalCompound:firstAppro...	1991
chemicalCompound:activity	activity:6466312, activity:9971980