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654836
Source:
http://linkedlifedata.com/resource/chembl/compound/654836
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:654836
chemicalCompound:standardIn...
InChI=1S/C21H21N5O4/c1-13(27)30-14-4-5-16-15(12-14)20-19-17(6-7-18(26(28)29)21(19)22-16)25(23-20)11-10-24-8-2-3-9-24/h4-7,12,22H,2-3,8-11H2,1H3
lld:chembl
chemicalCompound:654836
chemicalCompound:standardIn...
NUKBKBNUXHKTPT-UHFFFAOYSA-N
lld:chembl
chemicalCompound:654836
chemicalCompound:canonicalS...
CC(=O)Oc1ccc2Nc3c(ccc4c3c(nn4CCN5CCCC5)c2c1)[N+](=O)[O-]
lld:chembl
chemicalCompound:654836
chemicalCompound:molecularF...
C21H21N5O4
lld:chembl
chemicalCompound:654836
chemicalCompound:moleculeId
654836
lld:chembl
chemicalCompound:654836
chemicalCompound:mwFreebase
407.423
lld:chembl
chemicalCompound:654836
chemicalCompound:alogp
3.608
lld:chembl
chemicalCompound:654836
chemicalCompound:hba
7
lld:chembl
chemicalCompound:654836
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:654836
chemicalCompound:psa
105.21
lld:chembl
chemicalCompound:654836
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:654836
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:654836
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:654836
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:654836
chemicalCompound:acdLogP
4.095
lld:chembl
chemicalCompound:654836
chemicalCompound:acdLogD
2
lld:chembl
chemicalCompound:654836
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:654836
chemicalCompound:fullMwt
407.423
lld:chembl
chemicalCompound:654836
chemicalCompound:acdMostBpk...
9.631
lld:chembl
chemicalCompound:654836
chemicalCompound:chemblId
CHEMBL1180886
lld:chembl
chemicalCompound:654836
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:654836
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:654836
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:654836
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:654836
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:654836
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:654836
chemicalCompound:oral
No
lld:chembl
chemicalCompound:654836
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:654836
chemicalCompound:topical
No
lld:chembl
chemicalCompound:654836
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:654836
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:654836
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:238621
chemicalCompound:parent
chemicalCompound:654836
lld:chembl