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194136
Source:
http://linkedlifedata.com/resource/chembl/compound/194136
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Subject
(
38
)
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Inference
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C24H16ClF3N4O/c25-17-8-1-2-9-19(17)32-21(33)12-11-18(30-32)23-22(29-20-10-3-4-13-31(20)23)15-6-5-7-16(14-15)24(26,27)28/h1-10,13-14H,11-12H2
chemicalCompound:standardIn...
UFQWDBJBCMEQBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...
FC(F)(F)c1cccc(c1)c2nc3ccccn3c2C4=NN(C(=O)CC4)c5ccccc5Cl
chemicalCompound:molecularF...
C24H16ClF3N4O
chemicalCompound:moleculeId
194136
chemicalCompound:mwFreebase
468.858
chemicalCompound:alogp
5.554
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
49.97
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.856
chemicalCompound:acdLogD
4.856
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
468.858
chemicalCompound:acdMostBpk...
2.948
chemicalCompound:chemblId
CHEMBL119675
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:294136
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:33876
,
activity:33877
,
activity:33878
,
activity:33879
,
activity:2619606