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893577
Source:
http://linkedlifedata.com/resource/chembl/compound/893577
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Subject
Predicate
Object
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(
40
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:893577
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:893577
chemicalCompound:parent
chemicalCompound:1044280
lld:chembl
chemicalCompound:893577
chemicalCompound:standardIn...
InChI=1S/C17H25NO3.ClH/c1-13-7-9-18(10-8-13)11-16(20)12-21-17-5-3-15(4-6-17)14(2)19;/h3-6,13,16,20H,7-12H2,1-2H3;1H
lld:chembl
chemicalCompound:893577
chemicalCompound:standardIn...
XXHSSTMTEGBYBH-UHFFFAOYSA-N
lld:chembl
chemicalCompound:893577
chemicalCompound:canonicalS...
Cl.CC1CCN(CC(O)COc2ccc(cc2)C(=O)C)CC1
lld:chembl
chemicalCompound:893577
chemicalCompound:molecularF...
C17H26ClNO3
lld:chembl
chemicalCompound:893577
chemicalCompound:moleculeId
893577
lld:chembl
chemicalCompound:893577
chemicalCompound:mwFreebase
291.385
lld:chembl
chemicalCompound:893577
chemicalCompound:alogp
2.35
lld:chembl
chemicalCompound:893577
chemicalCompound:hba
4
lld:chembl
chemicalCompound:893577
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:893577
chemicalCompound:psa
49.77
lld:chembl
chemicalCompound:893577
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:893577
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:893577
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:893577
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:893577
chemicalCompound:acdMostApk...
13.955
lld:chembl
chemicalCompound:893577
chemicalCompound:acdLogP
2.074
lld:chembl
chemicalCompound:893577
chemicalCompound:acdLogD
0.468
lld:chembl
chemicalCompound:893577
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:893577
chemicalCompound:fullMwt
327.846
lld:chembl
chemicalCompound:893577
chemicalCompound:acdMostBpk...
8.983
lld:chembl
chemicalCompound:893577
chemicalCompound:chemblId
CHEMBL1469693
lld:chembl
chemicalCompound:893577
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:893577
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:893577
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:893577
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:893577
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:893577
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:893577
chemicalCompound:oral
No
lld:chembl
chemicalCompound:893577
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:893577
chemicalCompound:topical
No
lld:chembl
chemicalCompound:893577
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:893577
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:893577
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:893577
chemicalCompound:activity
activity:3883727
lld:chembl
chemicalCompound:893577
chemicalCompound:activity
activity:6690790
lld:chembl
chemicalCompound:893577
chemicalCompound:activity
activity:6733045
lld:chembl
chemicalCompound:893577
chemicalCompound:activity
activity:6795390
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:893577
lld:chembl