675295

Source:http://linkedlifedata.com/resource/chembl/compound/675295

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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:675295_Trospium_INN
chemicalCompound:standardIn...	InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1
chemicalCompound:standardIn...	OYYDSUSKLWTMMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...	C25H30NO3
chemicalCompound:moleculeId	675295
chemicalCompound:mwFreebase	392.511
chemicalCompound:alogp	2.349
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.231
chemicalCompound:acdLogP	-1.442
chemicalCompound:acdLogD	-1.442
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.511
chemicalCompound:chemblId	CHEMBL1201344
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775295
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	TROSPIUM
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:2060027