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Sources
159
Source:
http://linkedlifedata.com/resource/chembl/compound/159
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Subject
(
33
)
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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/C29H38N2O10/c1-8-9-25(32)41-17-20-16-30(28(33)18-12-21(35-2)26(39-6)22(13-18)36-3)10-11-31(20)29(34)19-14-23(37-4)27(40-7)24(15-19)38-5/h12-15,20H,8-11,16-17H2,1-7H3
chemicalCompound:standardIn...
IWRWPHXCANDKPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...
C29 H38 N2 O10
chemicalCompound:moleculeId
159
chemicalCompound:mwFreebase
574.619
chemicalCompound:alogp
3.018
chemicalCompound:hba
10
chemicalCompound:hbd
0
chemicalCompound:psa
122.3
chemicalCompound:rtb
13
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.719
chemicalCompound:acdLogD
1.719
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
574.619
chemicalCompound:chemblId
CHEMBL6341
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100159
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:68607