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674556
Source:
http://linkedlifedata.com/resource/chembl/compound/674556
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Subject
(
55
)
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Inference
Explicit and implicit
Explicit only
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:675295
chemicalCompound:synonym
synonym:674556_IP-631_RESEARCH_CODE
,
synonym:674556_Trospium Chloride_BAN
,
synonym:674556_Trospium Chloride_INN
,
synonym:674556_Trospium Chloride_JAN
,
synonym:674556_Trospium Chloride_USAN
chemicalCompound:standardIn...
InChI=1S/C25H30NO3.ClH/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;1H/q+1;/p-1
chemicalCompound:standardIn...
RVCSYOQWLPPAOA-UHFFFAOYSA-M
chemicalCompound:canonicalS...
[Cl-].OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5
chemicalCompound:molecularF...
C25H30ClNO3
chemicalCompound:moleculeId
674556
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
427.964
chemicalCompound:chemblId
CHEMBL1200605
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
Yes
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:774556
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 CHLORIDE
chemicalCompound:firstAppro...
2004
chemicalCompound:activity
activity:7830637
,
activity:7830638
,
activity:7830639
,
activity:7830640
,
activity:7830641
,
activity:7830642
,
activity:7830643
,
activity:7830644
,
activity:7830645
,
activity:7830646
,
activity:7830647
,
activity:7830648
,
activity:7830649
,
activity:7830650