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465910
Source:
http://linkedlifedata.com/resource/chembl/compound/465910
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Subject
(
46
)
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/C17H26O4/c1-2-3-4-5-6-7-8-9-10-14(18)13-11-15(19)17(21)16(20)12-13/h11-12,19-21H,2-10H2,1H3
chemicalCompound:standardIn...
GWTQFRFZOGFXFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCCCCCCCCC(=O)c1cc(O)c(O)c(O)c1
chemicalCompound:molecularF...
C17H26O4
chemicalCompound:moleculeId
465910
chemicalCompound:mwFreebase
294.386
chemicalCompound:alogp
5.16
chemicalCompound:hba
4
chemicalCompound:hbd
3
chemicalCompound:psa
77.76
chemicalCompound:rtb
10
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
7.864
chemicalCompound:acdLogP
5.211
chemicalCompound:acdLogD
5.056
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
294.386
chemicalCompound:chemblId
CHEMBL463282
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:565910
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:2191225
,
activity:2191233
,
activity:2191243
,
activity:2191251
,
activity:2191260
,
activity:2191270
,
activity:2191283
,
activity:2191289
,
activity:2191297
,
activity:2191308
,
activity:2191313
,
activity:2191318
,
activity:2191323