549674

Source:http://linkedlifedata.com/resource/chembl/compound/549674

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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:93858
chemicalCompound:synonym	synonym:549674_EXP-126_RESEARCH_CODE, synonym:549674_Flumadine_TRADE_NAME, synonym:549674_Meradan_TRADE_NAME, synonym:549674_Rimantadine Hydrochloride_USAN, synonym:549674_Rimantadine_BAN, synonym:549674_Rimantadine_INN, synonym:549674_Roflual_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
chemicalCompound:standardIn...	OZBDFBJXRJWNAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(N)C12CC3CC(CC(C3)C1)C2
chemicalCompound:molecularF...	C12H22ClN
chemicalCompound:moleculeId	549674
chemicalCompound:mwFreebase	179.302
chemicalCompound:alogp	2.204
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.305
chemicalCompound:acdLogD	0.393
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	215.763
chemicalCompound:acdMostBpk...	10.764
chemicalCompound:chemblId	CHEMBL535396
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:649674
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	RIMANTADINE HYDROCHLORIDE
chemicalCompound:firstAppro...	1993
chemicalCompound:activity	activity:1952075, activity:1952088, activity:2113042, activity:2113043, activity:6698472, activity:7358474