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420271
Source:
http://linkedlifedata.com/resource/chembl/compound/420271
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Subject
(
34
)
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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/C13H15N5O/c1-2-18-10-4-6-15-12(19)8(10)7-11(18)9-3-5-16-13(14)17-9/h3,5,7H,2,4,6H2,1H3,(H,15,19)(H2,14,16,17)
chemicalCompound:standardIn...
YUZZQQUJSVHICK-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCn1c2CCNC(=O)c2cc1c3ccnc(N)n3
chemicalCompound:molecularF...
C13 H15 N5 O
chemicalCompound:moleculeId
420271
chemicalCompound:mwFreebase
257.291
chemicalCompound:alogp
1
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
85.83
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.771
chemicalCompound:acdLogD
0.771
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
257.291
chemicalCompound:acdMostBpk...
4.154
chemicalCompound:chemblId
CHEMBL248853
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:520271
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:2068727