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Sources
21892
Source:
http://linkedlifedata.com/resource/chembl/compound/21892
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Subject
(
36
)
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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/C15H14ClN5O/c1-19-9-18-13-12(19)14(22)20-7-6-17-15(20)21(13)8-10-2-4-11(16)5-3-10/h2-5,9H,6-8H2,1H3
chemicalCompound:standardIn...
LVEDIQDQBXDRIL-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cn1cnc2N(Cc3ccc(Cl)cc3)C4=NCCN4C(=O)c12
chemicalCompound:molecularF...
C15 H14 Cl N5 O
chemicalCompound:moleculeId
21892
chemicalCompound:mwFreebase
315.758
chemicalCompound:alogp
2.227
chemicalCompound:hba
4
chemicalCompound:hbd
0
chemicalCompound:psa
53.73
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.986
chemicalCompound:acdLogD
0.986
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
315.758
chemicalCompound:acdMostBpk...
2.519
chemicalCompound:chemblId
CHEMBL415997
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:121892
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:31950
,
activity:31951
,
activity:31952