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504455
Source:
http://linkedlifedata.com/resource/chembl/compound/504455
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Subject
(
36
)
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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:parent
chemicalCompound:27647
chemicalCompound:standardIn...
InChI=1S/C10H17N.H2O4S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-5(2,3)4/h7-9H,1-6,11H2;(H2,1,2,3,4)
chemicalCompound:standardIn...
PLRGINNCKYSSTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC12CC3CC(CC(C3)C1)C2.OS(=O)(=O)O
chemicalCompound:molecularF...
C10H19NO4S
chemicalCompound:moleculeId
504455
chemicalCompound:mwFreebase
151.249
chemicalCompound:alogp
1.495
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
26.02
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.442
chemicalCompound:acdLogD
-0.467
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
249.327
chemicalCompound:acdMostBpk...
10.756
chemicalCompound:chemblId
CHEMBL465617
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:604455
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:2327235
,
activity:2327239