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899879
Source:
http://linkedlifedata.com/resource/chembl/compound/899879
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Subject
(
36
)
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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/C18H23N3O5S/c1-20-13-16(27(23,24)21-7-9-26-10-8-21)11-17(20)18(22)19-12-14-3-5-15(25-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22)
chemicalCompound:standardIn...
KSCOHHADELSGAD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(CNC(=O)c2cc(cn2C)S(=O)(=O)N3CCOCC3)cc1
chemicalCompound:molecularF...
C18H23N3O5S
chemicalCompound:moleculeId
899879
chemicalCompound:mwFreebase
393.457
chemicalCompound:alogp
1
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
98.25
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.788
chemicalCompound:acdLogD
1.788
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
393.457
chemicalCompound:chemblId
CHEMBL1475995
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:999879
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:4762301
,
activity:5425195
,
activity:5791098
,
activity:7554946