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456444
Source:
http://linkedlifedata.com/resource/chembl/compound/456444
Search
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:456444
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:456444
chemicalCompound:standardIn...
InChI=1S/C21H24ClFN4O3S/c1-31(28,29)11-9-24-8-2-3-10-30-16-5-7-20-17(13-16)21(26-14-25-20)27-15-4-6-19(23)18(22)12-15/h4-7,12-14,24H,2-3,8-11H2,1H3,(H,25,26,27)
lld:chembl
chemicalCompound:456444
chemicalCompound:standardIn...
SPEQBPSZWOMRLO-UHFFFAOYSA-N
lld:chembl
chemicalCompound:456444
chemicalCompound:canonicalS...
CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
lld:chembl
chemicalCompound:456444
chemicalCompound:molecularF...
C21H24ClFN4O3S
lld:chembl
chemicalCompound:456444
chemicalCompound:moleculeId
456444
lld:chembl
chemicalCompound:456444
chemicalCompound:mwFreebase
466.957
lld:chembl
chemicalCompound:456444
chemicalCompound:alogp
3.536
lld:chembl
chemicalCompound:456444
chemicalCompound:hba
7
lld:chembl
chemicalCompound:456444
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:456444
chemicalCompound:psa
101.59
lld:chembl
chemicalCompound:456444
chemicalCompound:rtb
11
lld:chembl
chemicalCompound:456444
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:456444
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:456444
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:456444
chemicalCompound:acdLogP
3.952
lld:chembl
chemicalCompound:456444
chemicalCompound:acdLogD
3.099
lld:chembl
chemicalCompound:456444
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:456444
chemicalCompound:fullMwt
466.957
lld:chembl
chemicalCompound:456444
chemicalCompound:acdMostBpk...
8.2
lld:chembl
chemicalCompound:456444
chemicalCompound:chemblId
CHEMBL460731
lld:chembl
chemicalCompound:456444
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:456444
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:456444
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:456444
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:456444
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:456444
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:456444
chemicalCompound:oral
No
lld:chembl
chemicalCompound:456444
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:456444
chemicalCompound:topical
No
lld:chembl
chemicalCompound:456444
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:456444
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:456444
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:456444
chemicalCompound:activity
activity:198300
lld:chembl
chemicalCompound:456444
chemicalCompound:activity
activity:198301
lld:chembl
chemicalCompound:456444
chemicalCompound:activity
activity:198302
lld:chembl
chemicalCompound:456444
chemicalCompound:activity
activity:198303
lld:chembl
chemicalCompound:456444
chemicalCompound:activity
activity:2390148
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:456444
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:456444
lld:chembl