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218292
Source:
http://linkedlifedata.com/resource/chembl/compound/218292
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Subject
(
40
)
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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/C22H16O4/c23-16-10-4-8-14-19(18(25)12-13-6-2-1-3-7-13)15-9-5-11-17(24)21(15)22(26)20(14)16/h1-11,19,23-24H,12H2
chemicalCompound:standardIn...
CXRDPZDDCVOZHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1cccc2C(C(=O)Cc3ccccc3)c4cccc(O)c4C(=O)c12
chemicalCompound:molecularF...
C22 H16 O4
chemicalCompound:moleculeId
218292
chemicalCompound:mwFreebase
344.36
chemicalCompound:alogp
3.879
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
74.6
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
6.915
chemicalCompound:acdLogP
4.798
chemicalCompound:acdLogD
4.076
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
344.36
chemicalCompound:chemblId
CHEMBL132990
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:318292
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:255091
,
activity:255092
,
activity:255093
,
activity:1167306
,
activity:1167307
,
activity:1167308
,
activity:1167309