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282589
Source:
http://linkedlifedata.com/resource/chembl/compound/282589
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Subject
(
37
)
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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:standardIn...
InChI=1S/C13H9N3OS/c1-7-12-11(8(6-14)13(17)15-7)16-9-4-2-3-5-10(9)18-12/h2-5,16H,1H3,(H,15,17)
chemicalCompound:standardIn...
CNFFTHDYWTVPIQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1nc(O)c(C#N)c2Nc3ccccc3Sc12
chemicalCompound:molecularF...
C13 H9 N3 O S
chemicalCompound:moleculeId
282589
chemicalCompound:mwFreebase
255.295
chemicalCompound:alogp
2.976
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
94.24
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.912
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
255.295
chemicalCompound:acdMostBpk...
10.46
chemicalCompound:chemblId
CHEMBL169324
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:382589
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:643663
,
activity:643664
,
activity:643665
,
activity:643666