229058

Source:http://linkedlifedata.com/resource/chembl/compound/229058

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:229058_Ditropan_OTHER, synonym:229058_Oxybutynin_BAN, synonym:229058_Oxybutynin_FDA_ALTERNATIVE_NAME, synonym:229058_Oxybutynin_INN, synonym:229058_Oxybutynin_USAN, synonym:229058_Oxytrol_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
chemicalCompound:standardIn...	XIQVNETUBQGFHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2
chemicalCompound:molecularF...	C22H31NO3
chemicalCompound:moleculeId	229058
chemicalCompound:mwFreebase	357.486
chemicalCompound:alogp	4.646
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.946
chemicalCompound:acdLogP	5.049
chemicalCompound:acdLogD	4.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.486
chemicalCompound:acdMostBpk...	8.239
chemicalCompound:chemblId	CHEMBL1231
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329058
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	OXYBUTYNIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:7856
chemicalCompound:firstAppro...	2003
chemicalCompound:activity	activity:473478, activity:473479, activity:473480, activity:473481, activity:473482, activity:473483, activity:1505010, activity:1518939, activity:1518940, activity:1613260, activity:1613261, activity:1613262, activity:1613263, activity:1613264, activity:1613265, activity:1613266, activity:1613267, activity:1613268, activity:1613269, activity:1613270, activity:1666530, activity:1666566, activity:1666601, activity:1666612, activity:1960440, activity:1960464, activity:1960490, activity:1960514, activity:1960538, activity:1960605, activity:1960606, activity:1960609, activity:2062689, activity:2364342, activity:3557709, activity:3557728, activity:3557747, activity:3557766, activity:3557791, activity:3796924, activity:5079952, activity:5080751, activity:5081833, activity:5082364, activity:5082633, activity:5570161, activity:5705933, activity:6074533, activity:6879767, activity:7343319, activity:7436724, activity:7457216, activity:7488172, activity:7714725, activity:7714726, activity:7714727, activity:7714728