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954877
Source:
http://linkedlifedata.com/resource/chembl/compound/954877
Search
Subject
Predicate
Object
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(
50
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:954877
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:954877
chemicalCompound:standardIn...
InChI=1S/C18H16N4OS/c1-13-5-7-14(8-6-13)20-17(23)12-24-18-10-9-16(21-22-18)15-4-2-3-11-19-15/h2-11H,12H2,1H3,(H,20,23)
lld:chembl
chemicalCompound:954877
chemicalCompound:standardIn...
PUTYLHNGZHEKDG-UHFFFAOYSA-N
lld:chembl
chemicalCompound:954877
chemicalCompound:canonicalS...
Cc1ccc(NC(=O)CSc2ccc(nn2)c3ccccn3)cc1
lld:chembl
chemicalCompound:954877
chemicalCompound:molecularF...
C18H16N4OS
lld:chembl
chemicalCompound:954877
chemicalCompound:moleculeId
954877
lld:chembl
chemicalCompound:954877
chemicalCompound:mwFreebase
336.411
lld:chembl
chemicalCompound:954877
chemicalCompound:alogp
3.64
lld:chembl
chemicalCompound:954877
chemicalCompound:hba
5
lld:chembl
chemicalCompound:954877
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:954877
chemicalCompound:psa
93.07
lld:chembl
chemicalCompound:954877
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:954877
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:954877
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:954877
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:954877
chemicalCompound:acdMostApk...
12.913
lld:chembl
chemicalCompound:954877
chemicalCompound:acdLogP
2.737
lld:chembl
chemicalCompound:954877
chemicalCompound:acdLogD
2.737
lld:chembl
chemicalCompound:954877
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:954877
chemicalCompound:fullMwt
336.411
lld:chembl
chemicalCompound:954877
chemicalCompound:acdMostBpk...
0.885
lld:chembl
chemicalCompound:954877
chemicalCompound:chemblId
CHEMBL1530993
lld:chembl
chemicalCompound:954877
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:954877
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:954877
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:954877
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:954877
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:954877
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:954877
chemicalCompound:oral
No
lld:chembl
chemicalCompound:954877
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:954877
chemicalCompound:topical
No
lld:chembl
chemicalCompound:954877
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:954877
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:954877
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:3757039
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:3867416
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:4415562
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:4886829
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5359474
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5424937
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5650310
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5802952
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5891018
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:5970506
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:6509519
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:6935783
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:7103484
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:7307219
lld:chembl
chemicalCompound:954877
chemicalCompound:activity
activity:7354201
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:954877
lld:chembl