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Sources
790110
Source:
http://linkedlifedata.com/resource/chembl/compound/790110
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Subject
(
37
)
Predicate
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/C10H10ClN5O/c1-7-2-3-8(11)4-9(7)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17)
chemicalCompound:standardIn...
PKSMJMHTXOKKBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cc1ccc(Cl)cc1NC(=O)Nn2cnnc2
chemicalCompound:molecularF...
C10H10ClN5O
chemicalCompound:moleculeId
790110
chemicalCompound:mwFreebase
251.672
chemicalCompound:alogp
1.292
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
71.84
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
5.488
chemicalCompound:acdLogP
1.136
chemicalCompound:acdLogD
0.054
chemicalCompound:molecularS...
molecularSpecies:ACID
chemicalCompound:fullMwt
251.672
chemicalCompound:acdMostBpk...
2.579
chemicalCompound:chemblId
CHEMBL1366226
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:890110
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:4779607
,
activity:5000521
,
activity:6486160