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842666
Source:
http://linkedlifedata.com/resource/chembl/compound/842666
Search
Subject
Predicate
Object
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(
55
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:842666
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:842666
chemicalCompound:standardIn...
InChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)17-16-18-15(20)14(21-16)10-12-7-5-9-19(12)2/h3-10H,1-2H3,(H,17,18,20)/b14-10-
lld:chembl
chemicalCompound:842666
chemicalCompound:standardIn...
MXOCRJFHQPCTNY-UVTDQMKNSA-N
lld:chembl
chemicalCompound:842666
chemicalCompound:canonicalS...
Cc1ccccc1NC2=NC(=O)\C(=C\c3cccn3C)\S2
lld:chembl
chemicalCompound:842666
chemicalCompound:molecularF...
C16H15N3OS
lld:chembl
chemicalCompound:842666
chemicalCompound:moleculeId
842666
lld:chembl
chemicalCompound:842666
chemicalCompound:mwFreebase
297.375
lld:chembl
chemicalCompound:842666
chemicalCompound:alogp
3.856
lld:chembl
chemicalCompound:842666
chemicalCompound:hba
4
lld:chembl
chemicalCompound:842666
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:842666
chemicalCompound:psa
71.69
lld:chembl
chemicalCompound:842666
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:842666
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:842666
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:842666
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:842666
chemicalCompound:acdLogP
3.016
lld:chembl
chemicalCompound:842666
chemicalCompound:acdLogD
3.016
lld:chembl
chemicalCompound:842666
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:842666
chemicalCompound:fullMwt
297.375
lld:chembl
chemicalCompound:842666
chemicalCompound:acdMostBpk...
0.409
lld:chembl
chemicalCompound:842666
chemicalCompound:chemblId
CHEMBL1418782
lld:chembl
chemicalCompound:842666
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:842666
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:842666
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:842666
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:842666
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:842666
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:842666
chemicalCompound:oral
No
lld:chembl
chemicalCompound:842666
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:842666
chemicalCompound:topical
No
lld:chembl
chemicalCompound:842666
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:842666
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:842666
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:3615155
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:3772089
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:3926529
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:4009232
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:4335221
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:4465160
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:4603897
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:4904481
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:5352973
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:5682059
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:5789602
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:5873132
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:5966733
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:6468225
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:6716435
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:6777124
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:7054484
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:7169097
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:7232958
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:7414341
lld:chembl
chemicalCompound:842666
chemicalCompound:activity
activity:9825125
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:842666
lld:chembl