479129

Source:http://linkedlifedata.com/resource/chembl/compound/479129

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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:12957
chemicalCompound:synonym	synonym:479129_Alaway_TRADE_NAME, synonym:479129_HC-20511 fumarate_RESEARCH_CODE, synonym:479129_Ketotifen Fumarate_JAN, synonym:479129_Ketotifen Fumarate_USAN, synonym:479129_Ketotifen fumarate_FDA_ALTERNATIVE_NAME, synonym:479129_Ketotifen fumarate_TRADE_NAME, synonym:479129_Zaditor_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
chemicalCompound:standardIn...	YNQQEYBLVYAWNX-WLHGVMLRSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C\C(=O)O
chemicalCompound:molecularF...	C23H23NO5S
chemicalCompound:moleculeId	479129
chemicalCompound:mwFreebase	309.425
chemicalCompound:alogp	3.768
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	48.55
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.192
chemicalCompound:acdLogD	0.744
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	425.497
chemicalCompound:acdMostBpk...	8.843
chemicalCompound:chemblId	CHEMBL1633
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:579129
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	KETOTIFEN FUMARATE
chemicalCompound:firstAppro...	2006
chemicalCompound:activity	activity:2186161, activity:2424397, activity:2577128, activity:2577129, activity:2639245, activity:2681914, activity:2681924, activity:2681925, activity:2681979, activity:2681988, activity:2681998, activity:2681999, activity:3484608, activity:3484696, activity:3484781, activity:3484927, activity:3485713, activity:3485799, activity:3492318, activity:3634958, activity:3647787, activity:3696224, activity:3929656, activity:3989108, activity:4278774, activity:4298302, activity:4311589, activity:4358563, activity:4407707, activity:4536071, activity:4538396, activity:4749753, activity:4921102, activity:4970418, activity:5596011, activity:5636748, activity:5716462, activity:5726505, activity:5787325, activity:5791584, activity:5817651, activity:6517618, activity:6519369, activity:6602394, activity:6804991, activity:7002428, activity:7005108, activity:7028459, activity:7073745, activity:7117595, activity:7126347, activity:7433619, activity:7448223, activity:7473161, activity:7505849, activity:7510544, activity:7537111