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422463
Source:
http://linkedlifedata.com/resource/chembl/compound/422463
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Subject
Predicate
Object
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(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:422463
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:422463
chemicalCompound:standardIn...
InChI=1S/C21H21ClF2N2O3/c1-21(2,3)26(20(28)13-7-6-12(23)11-16(13)24)25-19(27)15-8-9-17-14(18(15)22)5-4-10-29-17/h6-9,11H,4-5,10H2,1-3H3,(H,25,27)
lld:chembl
chemicalCompound:422463
chemicalCompound:standardIn...
GKYYGLBLKCGFDB-UHFFFAOYSA-N
lld:chembl
chemicalCompound:422463
chemicalCompound:canonicalS...
CC(C)(C)N(NC(=O)c1ccc2OCCCc2c1Cl)C(=O)c3ccc(F)cc3F
lld:chembl
chemicalCompound:422463
chemicalCompound:molecularF...
C21 H21 Cl F2 N2 O3
lld:chembl
chemicalCompound:422463
chemicalCompound:moleculeId
422463
lld:chembl
chemicalCompound:422463
chemicalCompound:mwFreebase
422.853
lld:chembl
chemicalCompound:422463
chemicalCompound:alogp
4.598
lld:chembl
chemicalCompound:422463
chemicalCompound:hba
3
lld:chembl
chemicalCompound:422463
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:422463
chemicalCompound:psa
58.64
lld:chembl
chemicalCompound:422463
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:422463
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:422463
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:422463
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:422463
chemicalCompound:acdMostApk...
9.837
lld:chembl
chemicalCompound:422463
chemicalCompound:acdLogP
3.655
lld:chembl
chemicalCompound:422463
chemicalCompound:acdLogD
3.654
lld:chembl
chemicalCompound:422463
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:422463
chemicalCompound:fullMwt
422.853
lld:chembl
chemicalCompound:422463
chemicalCompound:chemblId
CHEMBL252270
lld:chembl
chemicalCompound:422463
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:422463
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:422463
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:422463
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:422463
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:422463
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:422463
chemicalCompound:oral
No
lld:chembl
chemicalCompound:422463
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:422463
chemicalCompound:topical
No
lld:chembl
chemicalCompound:422463
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:422463
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:422463
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:422463
chemicalCompound:activity
activity:2069875
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:422463
lld:chembl