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662623
Source:
http://linkedlifedata.com/resource/chembl/compound/662623
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Subject
Predicate
Object
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(
34
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:662623
chemicalCompound:standardIn...
InChI=1S/C20H22N8O6/c1-26-9-11(7-13(26)18(29)23-6-5-16(21)22)24-19(30)14-8-12(10-27(14)2)25-20(31)15-3-4-17(34-15)28(32)33/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22)(H,23,29)(H,24,30)(H,25,31)
lld:chembl
chemicalCompound:662623
chemicalCompound:standardIn...
LXLISUPFCNELLT-UHFFFAOYSA-N
lld:chembl
chemicalCompound:662623
chemicalCompound:canonicalS...
Cn1cc(NC(=O)c2cc(NC(=O)c3oc(cc3)[N+](=O)[O-])cn2C)cc1C(=O)NCCC(=N)N
lld:chembl
chemicalCompound:662623
chemicalCompound:molecularF...
C20H22N8O6
lld:chembl
chemicalCompound:662623
chemicalCompound:moleculeId
662623
lld:chembl
chemicalCompound:662623
chemicalCompound:mwFreebase
470.439
lld:chembl
chemicalCompound:662623
chemicalCompound:alogp
0.36
lld:chembl
chemicalCompound:662623
chemicalCompound:hba
6
lld:chembl
chemicalCompound:662623
chemicalCompound:hbd
5
lld:chembl
chemicalCompound:662623
chemicalCompound:psa
205.98
lld:chembl
chemicalCompound:662623
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:662623
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:662623
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:662623
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:662623
chemicalCompound:acdMostApk...
11.835
lld:chembl
chemicalCompound:662623
chemicalCompound:acdLogP
0
lld:chembl
chemicalCompound:662623
chemicalCompound:acdLogD
-1.998
lld:chembl
chemicalCompound:662623
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:662623
chemicalCompound:fullMwt
470.439
lld:chembl
chemicalCompound:662623
chemicalCompound:acdMostBpk...
11.733
lld:chembl
chemicalCompound:662623
chemicalCompound:chemblId
CHEMBL1188673
lld:chembl
chemicalCompound:662623
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:662623
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:662623
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:662623
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:662623
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:662623
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:662623
chemicalCompound:oral
No
lld:chembl
chemicalCompound:662623
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:662623
chemicalCompound:topical
No
lld:chembl
chemicalCompound:662623
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:662623
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:662623
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:550138
chemicalCompound:parent
chemicalCompound:662623
lld:chembl