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167170
Source:
http://linkedlifedata.com/resource/chembl/compound/167170
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Subject
(
35
)
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Inference
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C16H15ClN4O2/c1-19(2)14(22)10-20-15(11-5-7-12(17)8-6-11)18-13-4-3-9-21(23)16(13)20/h3-9H,10H2,1-2H3
chemicalCompound:standardIn...
OGXAQGGGYODFNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)C(=O)Cn1c(nc2ccc[n+]([O-])c12)c3ccc(Cl)cc3
chemicalCompound:molecularF...
C16 H15 Cl N4 O2
chemicalCompound:moleculeId
167170
chemicalCompound:mwFreebase
330.769
chemicalCompound:alogp
1.611
chemicalCompound:hba
3
chemicalCompound:hbd
0
chemicalCompound:psa
63.59
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0
chemicalCompound:acdLogD
0
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
330.769
chemicalCompound:acdMostBpk...
2.635
chemicalCompound:chemblId
CHEMBL103198
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:267170
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:708696
,
activity:708697