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Sources
550757
Source:
http://linkedlifedata.com/resource/chembl/compound/550757
Search
Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:550757
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:550757
chemicalCompound:parent
chemicalCompound:530
lld:chembl
chemicalCompound:550757
chemicalCompound:standardIn...
InChI=1S/C16H21N5O3.ClH/c1-23-12-7-10-11(8-13(12)24-2)19-16(20-14(10)17)21-5-3-9(4-6-21)15(18)22;/h7-9H,3-6H2,1-2H3,(H2,18,22)(H2,17,19,20);1H
lld:chembl
chemicalCompound:550757
chemicalCompound:standardIn...
MYPWLRMBIOBPLJ-UHFFFAOYSA-N
lld:chembl
chemicalCompound:550757
chemicalCompound:canonicalS...
Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCC(CC3)C(=O)N
lld:chembl
chemicalCompound:550757
chemicalCompound:molecularF...
C16H22ClN5O3
lld:chembl
chemicalCompound:550757
chemicalCompound:moleculeId
550757
lld:chembl
chemicalCompound:550757
chemicalCompound:mwFreebase
331.37
lld:chembl
chemicalCompound:550757
chemicalCompound:alogp
0.685
lld:chembl
chemicalCompound:550757
chemicalCompound:hba
7
lld:chembl
chemicalCompound:550757
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:550757
chemicalCompound:psa
116.59
lld:chembl
chemicalCompound:550757
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:550757
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:550757
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:550757
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:550757
chemicalCompound:acdLogP
0.989
lld:chembl
chemicalCompound:550757
chemicalCompound:acdLogD
-1.414
lld:chembl
chemicalCompound:550757
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:550757
chemicalCompound:fullMwt
367.831
lld:chembl
chemicalCompound:550757
chemicalCompound:acdMostBpk...
10.508
lld:chembl
chemicalCompound:550757
chemicalCompound:chemblId
CHEMBL540516
lld:chembl
chemicalCompound:550757
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:550757
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:550757
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:550757
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:550757
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:550757
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:550757
chemicalCompound:oral
No
lld:chembl
chemicalCompound:550757
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:550757
chemicalCompound:topical
No
lld:chembl
chemicalCompound:550757
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:550757
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:550757
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:550757
chemicalCompound:activity
activity:1034529
lld:chembl
chemicalCompound:550757
chemicalCompound:activity
activity:1034530
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:550757
lld:chembl