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470105
Source:
http://linkedlifedata.com/resource/chembl/compound/470105
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Subject
(
45
)
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:standardIn...
InChI=1S/C12H11BrO2S/c13-5-3-8-4-6-16-12(8)9-1-2-10(14)11(15)7-9/h1-2,4,6-7,14-15H,3,5H2
chemicalCompound:standardIn...
OHYRNCYWZSDKOT-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1ccc(cc1O)c2sccc2CCBr
chemicalCompound:molecularF...
C12H11BrO2S
chemicalCompound:moleculeId
470105
chemicalCompound:mwFreebase
299.184
chemicalCompound:alogp
3.883
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
68.7
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.282
chemicalCompound:acdLogP
3.424
chemicalCompound:acdLogD
3.415
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
299.184
chemicalCompound:chemblId
CHEMBL445598
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:570105
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:2363687
,
activity:2363706
,
activity:2363725
,
activity:2363748
,
activity:2363749
,
activity:2363786
,
activity:2363787
,
activity:2363823
,
activity:2363824
,
activity:2363861
,
activity:2363862
,
activity:3245990