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33898
Source:
http://linkedlifedata.com/resource/chembl/compound/33898
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Subject
Predicate
Object
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(
37
)
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Inference
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Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:33898
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:33898
chemicalCompound:standardIn...
InChI=1S/C19H21ClF3N3O3/c1-3-4-5-15-25-17(20)14(10-16(27)29-2)26(15)11-12-6-8-13(9-7-12)24-18(28)19(21,22)23/h6-9H,3-5,10-11H2,1-2H3,(H,24,28)
lld:chembl
chemicalCompound:33898
chemicalCompound:standardIn...
IZQWQHBLCHGZJT-UHFFFAOYSA-N
lld:chembl
chemicalCompound:33898
chemicalCompound:canonicalS...
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)C(F)(F)F)cc2
lld:chembl
chemicalCompound:33898
chemicalCompound:molecularF...
C19 H21 Cl F3 N3 O3
lld:chembl
chemicalCompound:33898
chemicalCompound:moleculeId
33898
lld:chembl
chemicalCompound:33898
chemicalCompound:mwFreebase
431.837
lld:chembl
chemicalCompound:33898
chemicalCompound:alogp
4.61
lld:chembl
chemicalCompound:33898
chemicalCompound:hba
4
lld:chembl
chemicalCompound:33898
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:33898
chemicalCompound:psa
73.22
lld:chembl
chemicalCompound:33898
chemicalCompound:rtb
10
lld:chembl
chemicalCompound:33898
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:33898
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:33898
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:33898
chemicalCompound:acdMostApk...
9.86
lld:chembl
chemicalCompound:33898
chemicalCompound:acdLogP
2.774
lld:chembl
chemicalCompound:33898
chemicalCompound:acdLogD
2.772
lld:chembl
chemicalCompound:33898
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:33898
chemicalCompound:fullMwt
431.837
lld:chembl
chemicalCompound:33898
chemicalCompound:acdMostBpk...
4.021
lld:chembl
chemicalCompound:33898
chemicalCompound:chemblId
CHEMBL25555
lld:chembl
chemicalCompound:33898
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:33898
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:33898
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:33898
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:33898
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:33898
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:33898
chemicalCompound:oral
No
lld:chembl
chemicalCompound:33898
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:33898
chemicalCompound:topical
No
lld:chembl
chemicalCompound:33898
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:33898
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:33898
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:33898
chemicalCompound:activity
activity:649260
lld:chembl
chemicalCompound:33898
chemicalCompound:activity
activity:649261
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:33898
lld:chembl