552883

Source:http://linkedlifedata.com/resource/chembl/compound/552883

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Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:49842
chemicalCompound:synonym	synonym:552883_Concerta_OTHER, synonym:552883_Metadate cd_TRADE_NAME, synonym:552883_Metadate er_TRADE_NAME, synonym:552883_Methylin er_TRADE_NAME, synonym:552883_Methylin_TRADE_NAME, synonym:552883_Methylphenidate Hydrochloride_JAN, synonym:552883_Methylphenidate Hydrochloride_USAN, synonym:552883_Methylphenidate Hydrochloride_USP, synonym:552883_Methylphenidate hydrochloride_FDA_ALTERNATIVE_NAME, synonym:552883_Methylphenidate hydrochloride_TRADE_NAME, synonym:552883_Methylphenidate_BAN, synonym:552883_Methylphenidate_INN, synonym:552883_Methylphenidate_USAN, synonym:552883_Ritalin la_TRADE_NAME, synonym:552883_Ritalin-SR_TRADE_NAME, synonym:552883_Ritalin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H
chemicalCompound:standardIn...	JUMYIBMBTDDLNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)C(C1CCCCN1)c2ccccc2
chemicalCompound:molecularF...	C14H20ClNO2
chemicalCompound:moleculeId	552883
chemicalCompound:mwFreebase	233.306
chemicalCompound:alogp	2.18
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	38.33
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.31
chemicalCompound:acdLogD	0.235
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	269.767
chemicalCompound:acdMostBpk...	9.514
chemicalCompound:chemblId	CHEMBL1722
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:652883
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	METHYLPHENIDATE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31836
chemicalCompound:activity	activity:1503257, activity:1503258, activity:1503259, activity:1503260, activity:1503261, activity:1503262, activity:3623458, activity:3774701, activity:3919791, activity:3937765, activity:4120017, activity:4617423, activity:4980548, activity:5521405, activity:6546030, activity:7022439