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77076
Source:
http://linkedlifedata.com/resource/chembl/compound/77076
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Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:77076
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:77076
chemicalCompound:standardIn...
InChI=1S/C21H27NO2/c1-13-8-17(24)11-21-6-7-22(12-14-2-3-14)19(20(13)21)9-15-4-5-16(23)10-18(15)21/h4-5,10,13-14,19-20,23H,2-3,6-9,11-12H2,1H3/t13-,19?,20-,21?/m0/s1
lld:chembl
chemicalCompound:77076
chemicalCompound:standardIn...
LHBKJDAAKOBCFF-MYDUYZGFSA-N
lld:chembl
chemicalCompound:77076
chemicalCompound:canonicalS...
C[C@H]1CC(=O)CC23CCN(CC4CC4)C(Cc5ccc(O)cc25)[C@H]13
lld:chembl
chemicalCompound:77076
chemicalCompound:molecularF...
C21 H27 N O2
lld:chembl
chemicalCompound:77076
chemicalCompound:moleculeId
77076
lld:chembl
chemicalCompound:77076
chemicalCompound:mwFreebase
325.445
lld:chembl
chemicalCompound:77076
chemicalCompound:alogp
3.098
lld:chembl
chemicalCompound:77076
chemicalCompound:hba
3
lld:chembl
chemicalCompound:77076
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:77076
chemicalCompound:psa
40.54
lld:chembl
chemicalCompound:77076
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:77076
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:77076
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:77076
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:77076
chemicalCompound:acdMostApk...
10.069
lld:chembl
chemicalCompound:77076
chemicalCompound:acdLogP
4.089
lld:chembl
chemicalCompound:77076
chemicalCompound:acdLogD
2.795
lld:chembl
chemicalCompound:77076
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:77076
chemicalCompound:fullMwt
325.445
lld:chembl
chemicalCompound:77076
chemicalCompound:acdMostBpk...
8.691
lld:chembl
chemicalCompound:77076
chemicalCompound:chemblId
CHEMBL52489
lld:chembl
chemicalCompound:77076
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:77076
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:77076
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:77076
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:77076
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:77076
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:77076
chemicalCompound:oral
No
lld:chembl
chemicalCompound:77076
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:77076
chemicalCompound:topical
No
lld:chembl
chemicalCompound:77076
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:77076
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:77076
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:77076
chemicalCompound:activity
activity:900660
lld:chembl
chemicalCompound:77076
chemicalCompound:activity
activity:900661
lld:chembl
chemicalCompound:77076
chemicalCompound:activity
activity:900662
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:77076
lld:chembl