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Sources
1292199
Source:
http://linkedlifedata.com/resource/chembl/compound/1292199
Search
Subject
(
85
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:13349
chemicalCompound:standardIn...
InChI=1S/C5H5N.H2O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;4H,(H,1,2,3)
chemicalCompound:standardIn...
LQYYDXLTSGASMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...
OS(=O)=O.c1ccncc1
chemicalCompound:molecularF...
C5H7NO3S
chemicalCompound:moleculeId
1292199
chemicalCompound:mwFreebase
79.0999
chemicalCompound:alogp
0.679
chemicalCompound:hba
1
chemicalCompound:hbd
0
chemicalCompound:psa
12.89
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.836
chemicalCompound:acdLogD
0.833
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
161.179
chemicalCompound:acdMostBpk...
5.229
chemicalCompound:chemblId
CHEMBL1970908
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1392199
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:8250209
,
activity:8299697
,
activity:8310468
,
activity:8400811
,
activity:8497989
,
activity:8511244
,
activity:8588051
,
activity:8643633
,
activity:8723977
,
activity:8775474
,
activity:8899405
,
activity:8928872
,
activity:8967291
,
activity:9016008
,
activity:9067906
,
activity:9143936
,
activity:9184271
,
activity:9222311
,
activity:9288213
,
activity:9305875
,
activity:9356673
,
activity:9426306
,
activity:9433075
,
activity:9442201
,
activity:9505096
,
activity:9683602
,
activity:9698066
,
activity:9716749
,
activity:9759164
,
activity:9787939
,
activity:9863481
,
activity:9892494
,
activity:9930528
,
activity:9959744
,
activity:10077049
,
activity:10079733
,
activity:10087384
,
activity:10168336
,
activity:10195771
,
activity:10373270
,
activity:10396889
,
activity:10427052
,
activity:10484375
,
activity:10494523
,
activity:10550943
,
activity:10591576
,
activity:10609328
,
activity:10700669
,
activity:10778235
,
activity:10793719
,
activity:10814109