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418719
Source:
http://linkedlifedata.com/resource/chembl/compound/418719
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Subject
Predicate
Object
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(
40
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:418719
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:418719
chemicalCompound:standardIn...
InChI=1S/C22H26N2O3/c1-2-22-9-5-10-23-11-8-16-15-6-3-4-7-17(15)24(19(16)20(22)23)18(14-22)21(26)27-13-12-25/h3-4,6-7,14,20,25H,2,5,8-13H2,1H3/t20-,22-/m1/s1
lld:chembl
chemicalCompound:418719
chemicalCompound:standardIn...
WBEVCQPAHIHTRP-IFMALSPDSA-N
lld:chembl
chemicalCompound:418719
chemicalCompound:canonicalS...
CC[C@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OCCO)c5ccccc45
lld:chembl
chemicalCompound:418719
chemicalCompound:molecularF...
C22 H26 N2 O3
lld:chembl
chemicalCompound:418719
chemicalCompound:moleculeId
418719
lld:chembl
chemicalCompound:418719
chemicalCompound:mwFreebase
366.453
lld:chembl
chemicalCompound:418719
chemicalCompound:alogp
3.406
lld:chembl
chemicalCompound:418719
chemicalCompound:hba
4
lld:chembl
chemicalCompound:418719
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:418719
chemicalCompound:psa
54.7
lld:chembl
chemicalCompound:418719
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:418719
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:418719
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:418719
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:418719
chemicalCompound:acdMostApk...
13.873
lld:chembl
chemicalCompound:418719
chemicalCompound:acdLogP
2.884
lld:chembl
chemicalCompound:418719
chemicalCompound:acdLogD
2.355
lld:chembl
chemicalCompound:418719
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:418719
chemicalCompound:fullMwt
366.453
lld:chembl
chemicalCompound:418719
chemicalCompound:acdMostBpk...
7.771
lld:chembl
chemicalCompound:418719
chemicalCompound:chemblId
CHEMBL401214
lld:chembl
chemicalCompound:418719
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:418719
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:418719
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:418719
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:418719
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:418719
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:418719
chemicalCompound:oral
No
lld:chembl
chemicalCompound:418719
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:418719
chemicalCompound:topical
No
lld:chembl
chemicalCompound:418719
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:418719
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:418719
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:418719
chemicalCompound:activity
activity:2067509
lld:chembl
chemicalCompound:418719
chemicalCompound:activity
activity:2067529
lld:chembl
chemicalCompound:418719
chemicalCompound:activity
activity:2067531
lld:chembl
chemicalCompound:418719
chemicalCompound:activity
activity:2067542
lld:chembl
chemicalCompound:418719
chemicalCompound:activity
activity:2067554
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:418719
lld:chembl