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Sources
804052
Source:
http://linkedlifedata.com/resource/chembl/compound/804052
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Subject
Predicate
Object
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(
42
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:804052
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:804052
chemicalCompound:parent
chemicalCompound:1041798
lld:chembl
chemicalCompound:804052
chemicalCompound:standardIn...
InChI=1S/C19H25N3O6.ClH/c1-5-26-17-14(22(24)25)11-13-12(3)15(28-16(13)18(17)27-6-2)19(23)21-9-7-20(4)8-10-21;/h11H,5-10H2,1-4H3;1H
lld:chembl
chemicalCompound:804052
chemicalCompound:standardIn...
VINXQNIXJXCFRZ-UHFFFAOYSA-N
lld:chembl
chemicalCompound:804052
chemicalCompound:canonicalS...
Cl.CCOc1c(OCC)c2oc(C(=O)N3CCN(C)CC3)c(C)c2cc1[N+](=O)[O-]
lld:chembl
chemicalCompound:804052
chemicalCompound:molecularF...
C19H26ClN3O6
lld:chembl
chemicalCompound:804052
chemicalCompound:moleculeId
804052
lld:chembl
chemicalCompound:804052
chemicalCompound:mwFreebase
391.418
lld:chembl
chemicalCompound:804052
chemicalCompound:alogp
2.841
lld:chembl
chemicalCompound:804052
chemicalCompound:hba
6
lld:chembl
chemicalCompound:804052
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:804052
chemicalCompound:psa
100.97
lld:chembl
chemicalCompound:804052
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:804052
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:804052
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:804052
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:804052
chemicalCompound:acdLogP
1
lld:chembl
chemicalCompound:804052
chemicalCompound:acdLogD
0.929
lld:chembl
chemicalCompound:804052
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:804052
chemicalCompound:fullMwt
427.879
lld:chembl
chemicalCompound:804052
chemicalCompound:acdMostBpk...
6.647
lld:chembl
chemicalCompound:804052
chemicalCompound:chemblId
CHEMBL1380168
lld:chembl
chemicalCompound:804052
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:804052
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:804052
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:804052
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:804052
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:804052
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:804052
chemicalCompound:oral
No
lld:chembl
chemicalCompound:804052
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:804052
chemicalCompound:topical
No
lld:chembl
chemicalCompound:804052
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:804052
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:804052
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:3617778
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:4336495
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:4559850
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:4589270
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:5444533
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:6466663
lld:chembl
chemicalCompound:804052
chemicalCompound:activity
activity:6760525
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:804052
lld:chembl