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957086
Source:
http://linkedlifedata.com/resource/chembl/compound/957086
Search
Subject
Predicate
Object
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(
51
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:957086
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:957086
chemicalCompound:standardIn...
InChI=1S/C14H12N4OS/c1-9(16)11(6-15)13(19)7-20-14-10-4-2-3-5-12(10)17-8-18-14/h2-5,8,16,19H,7H2,1H3
lld:chembl
chemicalCompound:957086
chemicalCompound:standardIn...
JXNAQJYGHQTWQL-UHFFFAOYSA-N
lld:chembl
chemicalCompound:957086
chemicalCompound:canonicalS...
CC(=N)C(=C(O)CSc1ncnc2ccccc12)C#N
lld:chembl
chemicalCompound:957086
chemicalCompound:molecularF...
C14H12N4OS
lld:chembl
chemicalCompound:957086
chemicalCompound:moleculeId
957086
lld:chembl
chemicalCompound:957086
chemicalCompound:mwFreebase
284.336
lld:chembl
chemicalCompound:957086
chemicalCompound:alogp
2.088
lld:chembl
chemicalCompound:957086
chemicalCompound:hba
6
lld:chembl
chemicalCompound:957086
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:957086
chemicalCompound:psa
118.94
lld:chembl
chemicalCompound:957086
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:957086
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:957086
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:957086
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:957086
chemicalCompound:acdMostApk...
3.192
lld:chembl
chemicalCompound:957086
chemicalCompound:acdLogP
1.409
lld:chembl
chemicalCompound:957086
chemicalCompound:acdLogD
-0.657
lld:chembl
chemicalCompound:957086
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:957086
chemicalCompound:fullMwt
284.336
lld:chembl
chemicalCompound:957086
chemicalCompound:acdMostBpk...
7.457
lld:chembl
chemicalCompound:957086
chemicalCompound:chemblId
CHEMBL1533202
lld:chembl
chemicalCompound:957086
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:957086
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:957086
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:957086
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:957086
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:957086
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:957086
chemicalCompound:oral
No
lld:chembl
chemicalCompound:957086
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:957086
chemicalCompound:topical
No
lld:chembl
chemicalCompound:957086
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:957086
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:957086
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:3619780
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:3816511
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:4052414
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:4291043
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:4356751
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:4843279
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:4927213
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:5021795
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:5023157
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:5380550
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:5509232
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:5574561
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:6897748
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:6986172
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:7460632
lld:chembl
chemicalCompound:957086
chemicalCompound:activity
activity:7529807
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:957086
lld:chembl