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Sources
131
Source:
http://linkedlifedata.com/resource/chembl/compound/131
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Subject
(
35
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C22H30O3/c1-21-9-7-13(23)11-18(21)19(24)12-15-16-5-6-20(25-14-3-4-14)22(16,2)10-8-17(15)21/h11,14-17,20H,3-10,12H2,1-2H3/t15?,16?,17?,20-,21+,22-/m0/s1
chemicalCompound:standardIn...
AXYMUXKMWNDOHO-GQOMOGQJSA-N
chemicalCompound:canonicalS...
C[C@]12CCC3C(CC(=O)C4=CC(=O)CC[C@]34C)C1CC[C@@H]2OC5CC5
chemicalCompound:molecularF...
C22 H30 O3
chemicalCompound:moleculeId
131
chemicalCompound:mwFreebase
342.472
chemicalCompound:alogp
3.37
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
43.37
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.601
chemicalCompound:acdLogD
2.601
chemicalCompound:fullMwt
342.472
chemicalCompound:chemblId
CHEMBL267358
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100131
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:496316
,
activity:496317
,
activity:496318
,
activity:496319