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Sources
902767
Source:
http://linkedlifedata.com/resource/chembl/compound/902767
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Subject
(
40
)
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Object
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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/C15H10ClFN4O/c16-11-3-6-14(13(17)7-11)20-15(22)10-1-4-12(5-2-10)21-9-18-8-19-21/h1-9H,(H,20,22)
chemicalCompound:standardIn...
RIXKUSUOHVZSIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Fc1cc(Cl)ccc1NC(=O)c2ccc(cc2)n3cncn3
chemicalCompound:molecularF...
C15H10ClFN4O
chemicalCompound:moleculeId
902767
chemicalCompound:mwFreebase
316.717
chemicalCompound:alogp
3.027
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
59.81
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.003
chemicalCompound:acdLogP
1.57
chemicalCompound:acdLogD
1.57
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
316.717
chemicalCompound:acdMostBpk...
1.912
chemicalCompound:chemblId
CHEMBL1478883
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1002767
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:3858355
,
activity:5015711
,
activity:5556388
,
activity:5939094
,
activity:6492539
,
activity:7157239