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352918
Source:
http://linkedlifedata.com/resource/chembl/compound/352918
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Subject
(
35
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C21H29NO3/c1-2-7-17(19(23)24)14-21(10-5-6-11-21)20(25)22-18-12-15-8-3-4-9-16(15)13-18/h3-4,8-9,17-18H,2,5-7,10-14H2,1H3,(H,22,25)(H,23,24)
chemicalCompound:standardIn...
IJMNLPIVXCSBRI-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCC(CC1(CCCC1)C(=O)NC2Cc3ccccc3C2)C(=O)O
chemicalCompound:molecularF...
C21 H29 N O3
chemicalCompound:moleculeId
352918
chemicalCompound:mwFreebase
343.46
chemicalCompound:alogp
4.478
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
66.4
chemicalCompound:rtb
7
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
4.759
chemicalCompound:acdLogP
3.647
chemicalCompound:acdLogD
1
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
343.46
chemicalCompound:chemblId
CHEMBL376425
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:452918
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:1736749
,
activity:1736753