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1154654
Source:
http://linkedlifedata.com/resource/chembl/compound/1154654
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Subject
(
34
)
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Inference
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Explicit only
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Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C10H10F3N5O4/c11-10(12,13)4-2-18(9(21)15-8(4)20)7-1-5(16-17-14)6(3-19)22-7/h2,5-7,19H,1,3H2,(H,15,20,21)/t5-,6+,7+/m0/s1
chemicalCompound:standardIn...
LYWDBOUHROZMIU-RRKCRQDMSA-N
chemicalCompound:canonicalS...
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])N2C=C(C(=O)NC2=O)C(F)(F)F
chemicalCompound:molecularF...
C10H10F3N5O4
chemicalCompound:moleculeId
1154654
chemicalCompound:mwFreebase
321.213
chemicalCompound:alogp
0.52
chemicalCompound:hba
6
chemicalCompound:hbd
2
chemicalCompound:psa
128.61
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
7.746
chemicalCompound:acdLogP
0.872
chemicalCompound:acdLogD
0.713
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
321.213
chemicalCompound:chemblId
CHEMBL1791023
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1254654
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:738358