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633702
Source:
http://linkedlifedata.com/resource/chembl/compound/633702
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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/C9H5N3O5S2/c13-8(6-2-1-3-18-6)10-9-5(11(14)15)4-7(19-9)12(16)17/h1-4H,(H,10,13)
chemicalCompound:standardIn...
CXPVCCNCBPEVDP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
[O-][N+](=O)c1cc(c(NC(=O)c2cccs2)s1)[N+](=O)[O-]
chemicalCompound:molecularF...
C9H5N3O5S2
chemicalCompound:moleculeId
633702
chemicalCompound:mwFreebase
299.283
chemicalCompound:alogp
2.267
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
177.22
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
10.589
chemicalCompound:acdLogP
2.102
chemicalCompound:acdLogD
2.102
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
299.283
chemicalCompound:chemblId
CHEMBL1085250
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:733702
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:3303014
,
activity:3303029
,
activity:3303044
,
activity:3303059