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685113
Source:
http://linkedlifedata.com/resource/chembl/compound/685113
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Subject
(
40
)
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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/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
chemicalCompound:standardIn...
UQVKZNNCIHJZLS-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cn1c(N)nc2ncc(cc12)c3ccccc3
chemicalCompound:molecularF...
C13H12N4
chemicalCompound:moleculeId
685113
chemicalCompound:mwFreebase
224.261
chemicalCompound:alogp
1.909
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
56.73
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.443
chemicalCompound:acdLogD
2.362
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
224.261
chemicalCompound:acdMostBpk...
7.718
chemicalCompound:chemblId
CHEMBL1213271
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:785113
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:44883
chemicalCompound:activity
activity:3395865
,
activity:3395866
,
activity:3395867
,
activity:3395868
,
activity:3395871
,
activity:6073925