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224572
Source:
http://linkedlifedata.com/resource/chembl/compound/224572
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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:224572
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:224572
chemicalCompound:standardIn...
InChI=1S/C24H24N2O3S2/c1-30-13-11-22(24(28)29)26-23(27)20-10-9-17(16-31-19-8-5-12-25-15-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1
lld:chembl
chemicalCompound:224572
chemicalCompound:standardIn...
MAEKAQMLARCSLM-QFIPXVFZSA-N
lld:chembl
chemicalCompound:224572
chemicalCompound:canonicalS...
CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1c3ccccc3)C(=O)O
lld:chembl
chemicalCompound:224572
chemicalCompound:molecularF...
C24 H24 N2 O3 S2
lld:chembl
chemicalCompound:224572
chemicalCompound:moleculeId
224572
lld:chembl
chemicalCompound:224572
chemicalCompound:mwFreebase
452.589
lld:chembl
chemicalCompound:224572
chemicalCompound:alogp
3.824
lld:chembl
chemicalCompound:224572
chemicalCompound:hba
6
lld:chembl
chemicalCompound:224572
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:224572
chemicalCompound:psa
129.89
lld:chembl
chemicalCompound:224572
chemicalCompound:rtb
10
lld:chembl
chemicalCompound:224572
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:224572
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:224572
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:224572
chemicalCompound:acdMostApk...
3.543
lld:chembl
chemicalCompound:224572
chemicalCompound:acdLogP
3.849
lld:chembl
chemicalCompound:224572
chemicalCompound:acdLogD
0.32
lld:chembl
chemicalCompound:224572
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:224572
chemicalCompound:fullMwt
452.589
lld:chembl
chemicalCompound:224572
chemicalCompound:acdMostBpk...
3.803
lld:chembl
chemicalCompound:224572
chemicalCompound:chemblId
CHEMBL132588
lld:chembl
chemicalCompound:224572
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:224572
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:224572
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:224572
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:224572
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:224572
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:224572
chemicalCompound:oral
No
lld:chembl
chemicalCompound:224572
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:224572
chemicalCompound:topical
No
lld:chembl
chemicalCompound:224572
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:224572
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:224572
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:224572
chemicalCompound:activity
activity:219927
lld:chembl
chemicalCompound:224572
chemicalCompound:activity
activity:219928
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:224572
lld:chembl