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Sources
76869
Source:
http://linkedlifedata.com/resource/chembl/compound/76869
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:76869
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:76869
chemicalCompound:parent
chemicalCompound:965
lld:chembl
chemicalCompound:76869
chemicalCompound:standardIn...
InChI=1S/C13H13N5.CH4O3S/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10;1-5(2,3)4/h2-6,8-9H,7H2,1H3,(H,14,15,16);1H3,(H,2,3,4)
lld:chembl
chemicalCompound:76869
chemicalCompound:standardIn...
IQWQQTJETMNCGN-UHFFFAOYSA-N
lld:chembl
chemicalCompound:76869
chemicalCompound:canonicalS...
CNc1ncnc2c1ncn2Cc3ccccc3.CS(=O)(=O)O
lld:chembl
chemicalCompound:76869
chemicalCompound:molecularF...
C13 H13 N5 . C H4 O3 S
lld:chembl
chemicalCompound:76869
chemicalCompound:moleculeId
76869
lld:chembl
chemicalCompound:76869
chemicalCompound:mwFreebase
239.276
lld:chembl
chemicalCompound:76869
chemicalCompound:alogp
1.903
lld:chembl
chemicalCompound:76869
chemicalCompound:hba
4
lld:chembl
chemicalCompound:76869
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:76869
chemicalCompound:psa
55.63
lld:chembl
chemicalCompound:76869
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:76869
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:76869
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:76869
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:76869
chemicalCompound:acdLogP
2.069
lld:chembl
chemicalCompound:76869
chemicalCompound:acdLogD
2.067
lld:chembl
chemicalCompound:76869
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:76869
chemicalCompound:fullMwt
335.381
lld:chembl
chemicalCompound:76869
chemicalCompound:acdMostBpk...
5.087
lld:chembl
chemicalCompound:76869
chemicalCompound:chemblId
CHEMBL50040
lld:chembl
chemicalCompound:76869
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:76869
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:76869
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:76869
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:76869
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:76869
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:76869
chemicalCompound:oral
No
lld:chembl
chemicalCompound:76869
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:76869
chemicalCompound:topical
No
lld:chembl
chemicalCompound:76869
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:76869
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:76869
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:76869
chemicalCompound:activity
activity:916006
lld:chembl
chemicalCompound:76869
chemicalCompound:activity
activity:916007
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:76869
lld:chembl