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663667
Source:
http://linkedlifedata.com/resource/chembl/compound/663667
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:663667
chemicalCompound:standardIn...
InChI=1S/C19H22ClNS/c1-19(2,3)11-6-5-7-12-21(4)13-15-9-8-10-17-18(15)16(20)14-22-17/h5,7-10,14H,12-13H2,1-4H3/b7-5+
lld:chembl
chemicalCompound:663667
chemicalCompound:standardIn...
FIGUWNHOTKQLNC-FNORWQNLSA-N
lld:chembl
chemicalCompound:663667
chemicalCompound:canonicalS...
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2scc(Cl)c12
lld:chembl
chemicalCompound:663667
chemicalCompound:molecularF...
C19H22ClNS
lld:chembl
chemicalCompound:663667
chemicalCompound:moleculeId
663667
lld:chembl
chemicalCompound:663667
chemicalCompound:mwFreebase
331.903
lld:chembl
chemicalCompound:663667
chemicalCompound:alogp
5.953
lld:chembl
chemicalCompound:663667
chemicalCompound:hba
1
lld:chembl
chemicalCompound:663667
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:663667
chemicalCompound:psa
31.47
lld:chembl
chemicalCompound:663667
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:663667
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:663667
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:663667
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:663667
chemicalCompound:acdLogP
6.309
lld:chembl
chemicalCompound:663667
chemicalCompound:acdLogD
6.25
lld:chembl
chemicalCompound:663667
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:663667
chemicalCompound:fullMwt
331.903
lld:chembl
chemicalCompound:663667
chemicalCompound:acdMostBpk...
6.569
lld:chembl
chemicalCompound:663667
chemicalCompound:chemblId
CHEMBL1189717
lld:chembl
chemicalCompound:663667
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:663667
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:663667
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:663667
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:663667
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:663667
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:663667
chemicalCompound:oral
No
lld:chembl
chemicalCompound:663667
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:663667
chemicalCompound:topical
No
lld:chembl
chemicalCompound:663667
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:663667
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:663667
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:552513
chemicalCompound:parent
chemicalCompound:663667
lld:chembl