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Sources
5927
Source:
http://linkedlifedata.com/resource/chembl/compound/5927
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Subject
(
32
)
Predicate
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/C28H33NO3/c1-29-14-13-28-20-16-27(12-6-9-18-7-4-3-5-8-18)17-31-25(27)26(28)32-24-22(30-2)11-10-19(23(24)28)15-21(20)29/h3-5,7-8,10-11,20-21,25-26H,6,9,12-17H2,1-2H3/t20?,21?,25-,26?,27-,28?/m1/s1
chemicalCompound:standardIn...
NBXXGHGXGUQPJP-BVXCAPMKSA-N
chemicalCompound:canonicalS...
COc1ccc2CC3C4C[C@]5(CCCc6ccccc6)CO[C@@H]5C7Oc1c2C47CCN3C
chemicalCompound:molecularF...
C28H33NO3
chemicalCompound:moleculeId
5927
chemicalCompound:mwFreebase
431.566
chemicalCompound:alogp
4.617
chemicalCompound:hba
4
chemicalCompound:hbd
0
chemicalCompound:psa
30.93
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.348
chemicalCompound:acdLogD
2.088
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
431.566
chemicalCompound:acdMostBpk...
8.642
chemicalCompound:chemblId
CHEMBL268464
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:105927
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No