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1084847
Source:
http://linkedlifedata.com/resource/chembl/compound/1084847
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Subject
(
37
)
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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:parent
chemicalCompound:100968
chemicalCompound:standardIn...
InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m1./s1
chemicalCompound:standardIn...
DNTDOBSIBZKFCP-UTONKHPSSA-N
chemicalCompound:canonicalS...
Cl.CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12
chemicalCompound:molecularF...
C17H26ClNO3
chemicalCompound:moleculeId
1084847
chemicalCompound:mwFreebase
291.385
chemicalCompound:alogp
2.358
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
58.56
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
13.839
chemicalCompound:acdLogP
1.963
chemicalCompound:acdLogD
-0.115
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
327.846
chemicalCompound:acdMostBpk...
9.518
chemicalCompound:chemblId
CHEMBL1704116
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1184847
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:5625602
,
activity:5742830