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134640
Source:
http://linkedlifedata.com/resource/chembl/compound/134640
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Subject
(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C19H21FN2O/c1-21(2)12-15-11-18-19-14(7-5-8-16(19)20)10-13-6-3-4-9-17(13)22(18)23-15/h3-9,15,18H,10-12H2,1-2H3
chemicalCompound:standardIn...
RJYJDEQXOIQEGZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)CC1CC2N(O1)c3ccccc3Cc4cccc(F)c24
chemicalCompound:molecularF...
C19 H21 F N2 O
chemicalCompound:moleculeId
134640
chemicalCompound:mwFreebase
312.381
chemicalCompound:alogp
3.865
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
15.71
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.882
chemicalCompound:acdLogD
1.477
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
312.381
chemicalCompound:acdMostBpk...
8.655
chemicalCompound:chemblId
CHEMBL83777
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:234640
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:1181432
,
activity:1181433
,
activity:1181434
,
activity:1181435
,
activity:1181436