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675258
Source:
http://linkedlifedata.com/resource/chembl/compound/675258
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Subject
(
52
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:synonym
synonym:675258_Spiriva HandiHaler_TRADE_NAME
,
synonym:675258_Tiotropium_INN
chemicalCompound:standardIn...
InChI=1S/C19H22NO4S2/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/q+1/t11?,12?,13?,16-,17-/m0/s1
chemicalCompound:standardIn...
LERNTVKEWCAPOY-GFZLOZNTSA-N
chemicalCompound:canonicalS...
C[N+]1(C)C2CC(CC1[C@@H]3O[C@@H]23)OC(=O)C(O)(c4cccs4)c5cccs5
chemicalCompound:molecularF...
C19H22NO4S2
chemicalCompound:moleculeId
675258
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
392.512
chemicalCompound:chemblId
CHEMBL1201307
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:775258
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
chemicalCompound:firstAppro...
2004
chemicalCompound:activity
activity:7831603
,
activity:7831604
,
activity:7831605
,
activity:7831606
,
activity:7831607
,
activity:7831608
,
activity:7831609
,
activity:7831610
,
activity:7831611
,
activity:7831612
,
activity:7831613
,
activity:7831614
,
activity:7831615
,
activity:7831616
,
activity:8001263