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5804
Source:
http://linkedlifedata.com/resource/chembl/compound/5804
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Subject
(
32
)
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Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C32H39NO3/c1-31(15-7-6-10-21-8-4-3-5-9-21)19-24-25-18-23-13-14-26(35-2)28-27(23)32(24,30(36-28)29(31)34)16-17-33(25)20-22-11-12-22/h3-5,8-9,13-14,22,24-25,30H,6-7,10-12,15-20H2,1-2H3/t24?,25?,30?,31-,32?/m1/s1
chemicalCompound:standardIn...
UUWZNLIYKOSSSK-UJMIHUDNSA-N
chemicalCompound:canonicalS...
COc1ccc2CC3C4C[C@@](C)(CCCCc5ccccc5)C(=O)C6Oc1c2C46CCN3CC7CC7
chemicalCompound:molecularF...
C32 H39 N O3
chemicalCompound:moleculeId
5804
chemicalCompound:mwFreebase
485.657
chemicalCompound:alogp
6.497
chemicalCompound:hba
4
chemicalCompound:hbd
0
chemicalCompound:psa
38.76
chemicalCompound:rtb
8
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
7.415
chemicalCompound:acdLogD
6.329
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
485.657
chemicalCompound:acdMostBpk...
8.454
chemicalCompound:chemblId
CHEMBL417424
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:105804
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No