674845

Source:http://linkedlifedata.com/resource/chembl/compound/674845

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:675258
chemicalCompound:synonym	synonym:674845_Tiotropium Bromide Monohydrate_USAN, synonym:674845_Tiotropium bromide monohydrate_OTHER
chemicalCompound:standardIn...	InChI=1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11?,12?,13?,16-,17-;;/m0../s1
chemicalCompound:standardIn...	MQLXPRBEAHBZTK-FUBKHHGDSA-M
chemicalCompound:canonicalS...	O.[Br-].C[N+]1(C)C2CC(CC1[C@@H]3O[C@@H]23)OC(=O)C(O)(c4cccs4)c5cccs5
chemicalCompound:molecularF...	C19H24BrNO5S2
chemicalCompound:moleculeId	674845
chemicalCompound:mwFreebase	392.512
chemicalCompound:alogp	0.898
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	115.54
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.269
chemicalCompound:acdLogP	-1.121
chemicalCompound:acdLogD	-1.12
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.432
chemicalCompound:chemblId	CHEMBL1200894
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774845
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	TIOTROPIUM BROMIDE MONOHYDRATE
chemicalCompound:firstAppro...	2004