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Sources
28217
Source:
http://linkedlifedata.com/resource/chembl/compound/28217
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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/C25H22N2O5/c28-25(9-20-15-31-24(10-25)32-20)23-3-1-2-18(27-23)14-30-19-4-5-21-17(8-19)11-26-12-22(21)16-6-7-29-13-16/h1-8,11-13,20,24,28H,9-10,14-15H2
chemicalCompound:standardIn...
PWOBQFFALARCEM-UHFFFAOYSA-N
chemicalCompound:canonicalS...
OC1(CC2COC(C1)O2)c3cccc(COc4ccc5c(cncc5c4)c6cocc6)n3
chemicalCompound:molecularF...
C25 H22 N2 O5
chemicalCompound:moleculeId
28217
chemicalCompound:mwFreebase
430.453
chemicalCompound:alogp
2.472
chemicalCompound:hba
6
chemicalCompound:hbd
1
chemicalCompound:psa
86.84
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
12.855
chemicalCompound:acdLogP
2.733
chemicalCompound:acdLogD
2.732
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
430.453
chemicalCompound:acdMostBpk...
4.621
chemicalCompound:chemblId
CHEMBL22736
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:128217
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:1207640
,
activity:1207641
,
activity:1207642