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184675
Source:
http://linkedlifedata.com/resource/chembl/compound/184675
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Subject
(
42
)
Predicate
Object
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Inference
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Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:9837
chemicalCompound:standardIn...
InChI=1S/C12H10N2.CH4O4S/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;1-5-6(2,3)4/h2-7,14H,1H3;1H3,(H,2,3,4)
chemicalCompound:standardIn...
KMDRSKWNFSKFNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COS(=O)(=O)O.Cc1nccc2c3ccccc3[nH]c12
chemicalCompound:molecularF...
C13H14N2O4S
chemicalCompound:moleculeId
184675
chemicalCompound:mwFreebase
182.221
chemicalCompound:alogp
2.455
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
28.68
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.06
chemicalCompound:acdLogD
1.834
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
294.326
chemicalCompound:acdMostBpk...
8.623
chemicalCompound:chemblId
CHEMBL326237
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:284675
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:655799
,
activity:655800
,
activity:655801
,
activity:655802
,
activity:655803
,
activity:2197517
,
activity:2197553
,
activity:2197577