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Sources
963813
Source:
http://linkedlifedata.com/resource/chembl/compound/963813
Search
Subject
(
48
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C14H15FN2OS/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
chemicalCompound:standardIn...
YFPKHIBGCPRLBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC(Cc1cccs1)NC(=O)Nc2ccc(F)cc2
chemicalCompound:molecularF...
C14H15FN2OS
chemicalCompound:moleculeId
963813
chemicalCompound:mwFreebase
278.345
chemicalCompound:alogp
3.101
chemicalCompound:hba
1
chemicalCompound:hbd
2
chemicalCompound:psa
69.37
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.388
chemicalCompound:acdLogP
3.535
chemicalCompound:acdLogD
3.535
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
278.345
chemicalCompound:acdMostBpk...
0.439
chemicalCompound:chemblId
CHEMBL1539929
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1063813
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:3812909
,
activity:3857562
,
activity:4435979
,
activity:4953791
,
activity:5433174
,
activity:5584008
,
activity:5660347
,
activity:5871730
,
activity:6472227
,
activity:6498101
,
activity:6598960
,
activity:6954199
,
activity:7394066
,
activity:10608140