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419893
Source:
http://linkedlifedata.com/resource/chembl/compound/419893
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Subject
(
37
)
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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/C10H7NO3S/c12-9-3-1-2-8(11-9)10(13)14-7-4-5-15-6-7/h1-6H,(H,11,12)
chemicalCompound:standardIn...
NZJFWCGEQFWBKH-UHFFFAOYSA-N
chemicalCompound:canonicalS...
O=C(Oc1ccsc1)C2=CC=CC(=O)N2
chemicalCompound:molecularF...
C10 H7 N O3 S
chemicalCompound:moleculeId
419893
chemicalCompound:mwFreebase
221.232
chemicalCompound:alogp
1
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
83.64
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
8.534
chemicalCompound:acdLogP
1.282
chemicalCompound:acdLogD
1.251
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
221.232
chemicalCompound:chemblId
CHEMBL398838
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:519893
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:2062922
,
activity:2062999
,
activity:2063074
,
activity:2063150