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914759
Source:
http://linkedlifedata.com/resource/chembl/compound/914759
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Subject
(
37
)
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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:22385
chemicalCompound:standardIn...
InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H
chemicalCompound:standardIn...
DOBOYMKCRRLTRF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Br.Br.NC(=N)SCCc1c[nH]cn1
chemicalCompound:molecularF...
C6H12Br2N4S
chemicalCompound:moleculeId
914759
chemicalCompound:mwFreebase
170.235
chemicalCompound:alogp
0.357
chemicalCompound:hba
3
chemicalCompound:hbd
3
chemicalCompound:psa
103.85
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
-0.063
chemicalCompound:acdLogD
-1.349
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
332.059
chemicalCompound:acdMostBpk...
8.504
chemicalCompound:chemblId
CHEMBL1490875
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1014759
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:3974134
,
activity:4901392
,
activity:5691792