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1097598
Source:
http://linkedlifedata.com/resource/chembl/compound/1097598
Search
Subject
Predicate
Object
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(
44
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1097598
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1097598
chemicalCompound:standardIn...
InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
lld:chembl
chemicalCompound:1097598
chemicalCompound:standardIn...
FCWNHTBGFOOASZ-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1097598
chemicalCompound:canonicalS...
Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
lld:chembl
chemicalCompound:1097598
chemicalCompound:molecularF...
C18H18Cl3N3O2S
lld:chembl
chemicalCompound:1097598
chemicalCompound:moleculeId
1097598
lld:chembl
chemicalCompound:1097598
chemicalCompound:mwFreebase
446.778
lld:chembl
chemicalCompound:1097598
chemicalCompound:alogp
6.214
lld:chembl
chemicalCompound:1097598
chemicalCompound:hba
3
lld:chembl
chemicalCompound:1097598
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:1097598
chemicalCompound:psa
94.48
lld:chembl
chemicalCompound:1097598
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:1097598
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1097598
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:1097598
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:1097598
chemicalCompound:acdMostApk...
9.596
lld:chembl
chemicalCompound:1097598
chemicalCompound:acdLogP
5.536
lld:chembl
chemicalCompound:1097598
chemicalCompound:acdLogD
5.529
lld:chembl
chemicalCompound:1097598
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:1097598
chemicalCompound:fullMwt
446.778
lld:chembl
chemicalCompound:1097598
chemicalCompound:acdMostBpk...
0.542
lld:chembl
chemicalCompound:1097598
chemicalCompound:chemblId
CHEMBL1716867
lld:chembl
chemicalCompound:1097598
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1097598
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1097598
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1097598
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1097598
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1097598
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5409711
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5508841
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5530688
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5538375
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5778043
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5855538
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5860960
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5881661
lld:chembl
chemicalCompound:1097598
chemicalCompound:activity
activity:5973766
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1097598
lld:chembl