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717040
Source:
http://linkedlifedata.com/resource/chembl/compound/717040
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Subject
Predicate
Object
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(
39
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:717040
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:717040
chemicalCompound:parent
chemicalCompound:1041434
lld:chembl
chemicalCompound:717040
chemicalCompound:standardIn...
InChI=1S/C14H17Cl2NO2.ClH/c1-2-19-13(18)14(5-7-17-8-6-14)10-3-4-11(15)12(16)9-10;/h3-4,9,17H,2,5-8H2,1H3;1H
lld:chembl
chemicalCompound:717040
chemicalCompound:standardIn...
HJQBEBJKYGEVNO-UHFFFAOYSA-N
lld:chembl
chemicalCompound:717040
chemicalCompound:canonicalS...
Cl.CCOC(=O)C1(CCNCC1)c2ccc(Cl)c(Cl)c2
lld:chembl
chemicalCompound:717040
chemicalCompound:molecularF...
C14H18Cl3NO2
lld:chembl
chemicalCompound:717040
chemicalCompound:moleculeId
717040
lld:chembl
chemicalCompound:717040
chemicalCompound:mwFreebase
302.196
lld:chembl
chemicalCompound:717040
chemicalCompound:alogp
3.238
lld:chembl
chemicalCompound:717040
chemicalCompound:hba
3
lld:chembl
chemicalCompound:717040
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:717040
chemicalCompound:psa
38.33
lld:chembl
chemicalCompound:717040
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:717040
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:717040
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:717040
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:717040
chemicalCompound:acdLogP
2.947
lld:chembl
chemicalCompound:717040
chemicalCompound:acdLogD
1
lld:chembl
chemicalCompound:717040
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:717040
chemicalCompound:fullMwt
338.657
lld:chembl
chemicalCompound:717040
chemicalCompound:acdMostBpk...
9.374
lld:chembl
chemicalCompound:717040
chemicalCompound:chemblId
CHEMBL1290622
lld:chembl
chemicalCompound:717040
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:717040
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:717040
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:717040
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:717040
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:717040
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:717040
chemicalCompound:oral
No
lld:chembl
chemicalCompound:717040
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:717040
chemicalCompound:topical
No
lld:chembl
chemicalCompound:717040
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:717040
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:717040
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:717040
chemicalCompound:activity
activity:3589922
lld:chembl
chemicalCompound:717040
chemicalCompound:activity
activity:3589952
lld:chembl
chemicalCompound:717040
chemicalCompound:activity
activity:3589982
lld:chembl
chemicalCompound:717040
chemicalCompound:activity
activity:3590012
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:717040
lld:chembl