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806409
Source:
http://linkedlifedata.com/resource/chembl/compound/806409
Search
Subject
Predicate
Object
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(
48
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:806409
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:806409
chemicalCompound:standardIn...
InChI=1S/C21H21N5O6/c1-14-5-7-18(8-6-14)32-19-12-16(11-17(13-19)25(28)29)22-21(27)4-3-9-24-15(2)10-20(23-24)26(30)31/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,27)
lld:chembl
chemicalCompound:806409
chemicalCompound:standardIn...
VZXQLBZUZNULIW-UHFFFAOYSA-N
lld:chembl
chemicalCompound:806409
chemicalCompound:canonicalS...
Cc1ccc(Oc2cc(NC(=O)CCCn3nc(cc3C)[N+](=O)[O-])cc(c2)[N+](=O)[O-])cc1
lld:chembl
chemicalCompound:806409
chemicalCompound:molecularF...
C21H21N5O6
lld:chembl
chemicalCompound:806409
chemicalCompound:moleculeId
806409
lld:chembl
chemicalCompound:806409
chemicalCompound:mwFreebase
439.421
lld:chembl
chemicalCompound:806409
chemicalCompound:alogp
4.205
lld:chembl
chemicalCompound:806409
chemicalCompound:hba
7
lld:chembl
chemicalCompound:806409
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:806409
chemicalCompound:psa
147.79
lld:chembl
chemicalCompound:806409
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:806409
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:806409
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:806409
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:806409
chemicalCompound:acdMostApk...
13.353
lld:chembl
chemicalCompound:806409
chemicalCompound:acdLogP
4.044
lld:chembl
chemicalCompound:806409
chemicalCompound:acdLogD
4.044
lld:chembl
chemicalCompound:806409
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:806409
chemicalCompound:fullMwt
439.421
lld:chembl
chemicalCompound:806409
chemicalCompound:chemblId
CHEMBL1382525
lld:chembl
chemicalCompound:806409
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:806409
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:806409
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:806409
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:806409
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:806409
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:806409
chemicalCompound:oral
No
lld:chembl
chemicalCompound:806409
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:806409
chemicalCompound:topical
No
lld:chembl
chemicalCompound:806409
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:806409
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:806409
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:3647466
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:3948173
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:4220979
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:4415498
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:4561555
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:5352831
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:5409245
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:5686845
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:5789527
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:5873030
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:6466501
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:7299693
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:7532548
lld:chembl
chemicalCompound:806409
chemicalCompound:activity
activity:10788373
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:806409
lld:chembl