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183609
Source:
http://linkedlifedata.com/resource/chembl/compound/183609
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Subject
(
32
)
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/C22H28O3/c1-22-11-10-18-17-9-7-16(25-15-4-2-3-5-15)12-14(17)6-8-19(18)21(22)24-13-20(22)23/h7,9,12,15,18-19,21H,2-6,8,10-11,13H2,1H3
chemicalCompound:standardIn...
COHCBZXNSQMOML-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CC12CCC3C(CCc4cc(OC5CCCC5)ccc34)C1OCC2=O
chemicalCompound:molecularF...
C22 H28 O3
chemicalCompound:moleculeId
183609
chemicalCompound:mwFreebase
340.456
chemicalCompound:alogp
4.535
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
35.53
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.42
chemicalCompound:acdLogD
4.42
chemicalCompound:fullMwt
340.456
chemicalCompound:chemblId
CHEMBL324599
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:283609
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:576274