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Sources
1296
Source:
http://linkedlifedata.com/resource/chembl/compound/1296
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Subject
(
32
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C13H16N4/c1-10-3-2-4-11-13(10)15-9-12(16-11)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3
chemicalCompound:standardIn...
SDNZJTAXUWOSFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1cccc2nc(cnc12)N3CCNCC3
chemicalCompound:molecularF...
C13H16N4
chemicalCompound:moleculeId
1296
chemicalCompound:mwFreebase
228.293
chemicalCompound:alogp
1.903
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
41.05
chemicalCompound:rtb
1
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.833
chemicalCompound:acdLogD
0.871
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
228.293
chemicalCompound:acdMostBpk...
8.345
chemicalCompound:chemblId
CHEMBL267269
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:101296
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No