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19307
Source:
http://linkedlifedata.com/resource/chembl/compound/19307
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Subject
(
40
)
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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:standardIn...
InChI=1S/C9H8N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h1-4H,5-6H2
chemicalCompound:standardIn...
BGEHUNJNNLFWCN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
C1Cn2c(S1)nc3ccccc23
chemicalCompound:molecularF...
C9 H8 N2 S
chemicalCompound:moleculeId
19307
chemicalCompound:mwFreebase
176.238
chemicalCompound:alogp
2.453
chemicalCompound:hba
2
chemicalCompound:hbd
0
chemicalCompound:psa
43.12
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.751
chemicalCompound:acdLogD
2.749
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
176.238
chemicalCompound:acdMostBpk...
5.071
chemicalCompound:chemblId
CHEMBL278440
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:119307
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:554672
,
activity:554673
,
activity:554674
,
activity:554675
,
activity:5585541
,
activity:6618949
,
activity:7032967