674836

Source:http://linkedlifedata.com/resource/chembl/compound/674836

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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:153342
chemicalCompound:synonym	synonym:674836_Alosetron Hydrochloride_USAN, synonym:674836_Alosetron_BAN, synonym:674836_Alosetron_INN, synonym:674836_GR-68755C_RESEARCH_CODE, synonym:674836_Lotronex_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
chemicalCompound:standardIn...	FNYQZOVOVDSGJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1[nH]cnc1CN2CCc3c(C2=O)c4ccccc4n3C
chemicalCompound:molecularF...	C17H19ClN4O
chemicalCompound:moleculeId	674836
chemicalCompound:mwFreebase	294.351
chemicalCompound:alogp	1.654
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	53.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.893
chemicalCompound:acdLogD	1.738
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.812
chemicalCompound:acdMostBpk...	7.004
chemicalCompound:chemblId	CHEMBL1200885
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774836
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ALOSETRON HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:53783
chemicalCompound:firstAppro...	2000
chemicalCompound:activity	activity:6467987, activity:6773977, activity:6868580, activity:9971994