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1119211
Source:
http://linkedlifedata.com/resource/chembl/compound/1119211
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Subject
(
32
)
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
chemicalCompound:standardIn...
InChI=1S/C17H17FN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)
chemicalCompound:standardIn...
DDUMHFXTQIMXFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(C)CCNC(=O)c1cccc2nc3cccc(F)c3nc12
chemicalCompound:molecularF...
C17H17FN4O
chemicalCompound:moleculeId
1119211
chemicalCompound:mwFreebase
312.341
chemicalCompound:alogp
2.611
chemicalCompound:hba
4
chemicalCompound:hbd
1
chemicalCompound:psa
58.12
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
8.213
chemicalCompound:acdLogP
2.67
chemicalCompound:acdLogD
2.07
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
312.341
chemicalCompound:chemblId
CHEMBL1740160
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1219211
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No