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Sources
666216
Source:
http://linkedlifedata.com/resource/chembl/compound/666216
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Subject
(
32
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C19H22ClNS/c1-19(2,3)11-6-5-7-12-21(4)14-15-9-8-10-17-16(15)13-18(20)22-17/h5,7-10,13H,12,14H2,1-4H3/b7-5+
chemicalCompound:standardIn...
XCIFQLIJIASNQF-FNORWQNLSA-N
chemicalCompound:canonicalS...
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2sc(Cl)cc12
chemicalCompound:molecularF...
C19H22ClNS
chemicalCompound:moleculeId
666216
chemicalCompound:mwFreebase
331.903
chemicalCompound:alogp
5.748
chemicalCompound:hba
1
chemicalCompound:hbd
0
chemicalCompound:psa
31.47
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
6.44
chemicalCompound:acdLogD
6.361
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
331.903
chemicalCompound:acdMostBpk...
6.696
chemicalCompound:chemblId
CHEMBL1192266
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:766216
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No