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287005
Source:
http://linkedlifedata.com/resource/chembl/compound/287005
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:287005
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:287005
chemicalCompound:standardIn...
InChI=1S/C21H23N5O3/c1-2-3-4-6-14-9-11-15(12-10-14)21(27)22-16-7-5-8-17-19(16)29-18(13-28-17)20-23-25-26-24-20/h5,7-12,18H,2-4,6,13H2,1H3,(H,22,27)(H,23,24,25,26)
lld:chembl
chemicalCompound:287005
chemicalCompound:standardIn...
AGWKNSFJPIXMMS-UHFFFAOYSA-N
lld:chembl
chemicalCompound:287005
chemicalCompound:canonicalS...
CCCCCc1ccc(cc1)C(=O)Nc2cccc3OCC(Oc23)c4nn[nH]n4
lld:chembl
chemicalCompound:287005
chemicalCompound:molecularF...
C21 H23 N5 O3
lld:chembl
chemicalCompound:287005
chemicalCompound:moleculeId
287005
lld:chembl
chemicalCompound:287005
chemicalCompound:mwFreebase
393.439
lld:chembl
chemicalCompound:287005
chemicalCompound:alogp
4.167
lld:chembl
chemicalCompound:287005
chemicalCompound:hba
6
lld:chembl
chemicalCompound:287005
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:287005
chemicalCompound:psa
102.02
lld:chembl
chemicalCompound:287005
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:287005
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:287005
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:287005
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:287005
chemicalCompound:acdMostApk...
3.932
lld:chembl
chemicalCompound:287005
chemicalCompound:acdLogP
4.099
lld:chembl
chemicalCompound:287005
chemicalCompound:acdLogD
2.113
lld:chembl
chemicalCompound:287005
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:287005
chemicalCompound:fullMwt
393.439
lld:chembl
chemicalCompound:287005
chemicalCompound:acdMostBpk...
0.523
lld:chembl
chemicalCompound:287005
chemicalCompound:chemblId
CHEMBL172041
lld:chembl
chemicalCompound:287005
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:287005
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:287005
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:287005
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:287005
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:287005
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:287005
chemicalCompound:oral
No
lld:chembl
chemicalCompound:287005
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:287005
chemicalCompound:topical
No
lld:chembl
chemicalCompound:287005
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:287005
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:287005
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:287005
chemicalCompound:activity
activity:282465
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:287005
lld:chembl