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622054
Source:
http://linkedlifedata.com/resource/chembl/compound/622054
Search
Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:622054
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:622054
chemicalCompound:standardIn...
InChI=1S/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
lld:chembl
chemicalCompound:622054
chemicalCompound:standardIn...
QQACZFXUTHECAN-OBKDMQGPSA-N
lld:chembl
chemicalCompound:622054
chemicalCompound:canonicalS...
Cc1ccc(Cc2cc(ccc2Cl)[C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
lld:chembl
chemicalCompound:622054
chemicalCompound:molecularF...
C20H23ClO4S
lld:chembl
chemicalCompound:622054
chemicalCompound:moleculeId
622054
lld:chembl
chemicalCompound:622054
chemicalCompound:mwFreebase
394.912
lld:chembl
chemicalCompound:622054
chemicalCompound:alogp
3.308
lld:chembl
chemicalCompound:622054
chemicalCompound:hba
5
lld:chembl
chemicalCompound:622054
chemicalCompound:hbd
4
lld:chembl
chemicalCompound:622054
chemicalCompound:psa
106.22
lld:chembl
chemicalCompound:622054
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:622054
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:622054
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:622054
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:622054
chemicalCompound:acdMostApk...
13.169
lld:chembl
chemicalCompound:622054
chemicalCompound:acdLogP
4.798
lld:chembl
chemicalCompound:622054
chemicalCompound:acdLogD
4.798
lld:chembl
chemicalCompound:622054
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:622054
chemicalCompound:fullMwt
394.912
lld:chembl
chemicalCompound:622054
chemicalCompound:chemblId
CHEMBL1090821
lld:chembl
chemicalCompound:622054
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:622054
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:622054
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:622054
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:622054
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:622054
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:622054
chemicalCompound:oral
No
lld:chembl
chemicalCompound:622054
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:622054
chemicalCompound:topical
No
lld:chembl
chemicalCompound:622054
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:622054
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:622054
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:622054
chemicalCompound:activity
activity:3257533
lld:chembl
chemicalCompound:622054
chemicalCompound:activity
activity:3257553
lld:chembl
chemicalCompound:622054
chemicalCompound:activity
activity:3257573
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:622054
lld:chembl