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553538
Source:
http://linkedlifedata.com/resource/chembl/compound/553538
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Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:553538
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:553538
chemicalCompound:parent
chemicalCompound:233899
lld:chembl
chemicalCompound:553538
chemicalCompound:standardIn...
InChI=1S/C21H28NO3.ClH/c1-7-22(8-2,9-3)12-18-15(6)24-21-14(5)20-16(11-17(18)21)13(4)10-19(23)25-20;/h10-11H,7-9,12H2,1-6H3;1H/q+1;/p-1
lld:chembl
chemicalCompound:553538
chemicalCompound:standardIn...
MMXITINVDYBCKZ-UHFFFAOYSA-M
lld:chembl
chemicalCompound:553538
chemicalCompound:canonicalS...
[Cl-].CC[N+](CC)(CC)Cc1c(C)oc2c(C)c3OC(=O)C=C(C)c3cc12
lld:chembl
chemicalCompound:553538
chemicalCompound:molecularF...
C21H28ClNO3
lld:chembl
chemicalCompound:553538
chemicalCompound:moleculeId
553538
lld:chembl
chemicalCompound:553538
chemicalCompound:mwFreebase
342.452
lld:chembl
chemicalCompound:553538
chemicalCompound:alogp
3.046
lld:chembl
chemicalCompound:553538
chemicalCompound:hba
0
lld:chembl
chemicalCompound:553538
chemicalCompound:hbd
5
lld:chembl
chemicalCompound:553538
chemicalCompound:psa
39.44
lld:chembl
chemicalCompound:553538
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:553538
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:553538
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:553538
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:553538
chemicalCompound:acdLogP
-1.176
lld:chembl
chemicalCompound:553538
chemicalCompound:acdLogD
-1.176
lld:chembl
chemicalCompound:553538
chemicalCompound:fullMwt
377.905
lld:chembl
chemicalCompound:553538
chemicalCompound:chemblId
CHEMBL539871
lld:chembl
chemicalCompound:553538
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:553538
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:553538
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:553538
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:553538
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:553538
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:553538
chemicalCompound:oral
No
lld:chembl
chemicalCompound:553538
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:553538
chemicalCompound:topical
No
lld:chembl
chemicalCompound:553538
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:553538
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:553538
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:553538
chemicalCompound:activity
activity:827388
lld:chembl
chemicalCompound:553538
chemicalCompound:activity
activity:827389
lld:chembl
chemicalCompound:553538
chemicalCompound:activity
activity:827390
lld:chembl
chemicalCompound:553538
chemicalCompound:activity
activity:827391
lld:chembl
chemicalCompound:553538
chemicalCompound:activity
activity:827392
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:553538
lld:chembl