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987337
Source:
http://linkedlifedata.com/resource/chembl/compound/987337
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Subject
Predicate
Object
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(
43
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:987337
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:987337
chemicalCompound:standardIn...
InChI=1S/C21H23N3O6S/c1-3-23(4-2)31(28,29)16-9-7-8-15(12-16)21(27)30-14-20(26)24-13-19(25)22-17-10-5-6-11-18(17)24/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
lld:chembl
chemicalCompound:987337
chemicalCompound:standardIn...
BTLPOZXBXXBJBO-UHFFFAOYSA-N
lld:chembl
chemicalCompound:987337
chemicalCompound:canonicalS...
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N2CC(=O)Nc3ccccc23
lld:chembl
chemicalCompound:987337
chemicalCompound:molecularF...
C21H23N3O6S
lld:chembl
chemicalCompound:987337
chemicalCompound:moleculeId
987337
lld:chembl
chemicalCompound:987337
chemicalCompound:mwFreebase
445.489
lld:chembl
chemicalCompound:987337
chemicalCompound:alogp
1.148
lld:chembl
chemicalCompound:987337
chemicalCompound:hba
6
lld:chembl
chemicalCompound:987337
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:987337
chemicalCompound:psa
121.46
lld:chembl
chemicalCompound:987337
chemicalCompound:rtb
8
lld:chembl
chemicalCompound:987337
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:987337
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:987337
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:987337
chemicalCompound:acdMostApk...
12.578
lld:chembl
chemicalCompound:987337
chemicalCompound:acdLogP
3.314
lld:chembl
chemicalCompound:987337
chemicalCompound:acdLogD
3.314
lld:chembl
chemicalCompound:987337
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:987337
chemicalCompound:fullMwt
445.489
lld:chembl
chemicalCompound:987337
chemicalCompound:acdMostBpk...
1
lld:chembl
chemicalCompound:987337
chemicalCompound:chemblId
CHEMBL1563453
lld:chembl
chemicalCompound:987337
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:987337
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:987337
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:987337
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:987337
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:987337
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:987337
chemicalCompound:oral
No
lld:chembl
chemicalCompound:987337
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:987337
chemicalCompound:topical
No
lld:chembl
chemicalCompound:987337
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:987337
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:987337
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:4261564
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:4486740
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:5719324
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:5776751
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:6528662
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:7263870
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:7368946
lld:chembl
chemicalCompound:987337
chemicalCompound:activity
activity:7440638
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:987337
lld:chembl