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Sources
128
Source:
http://linkedlifedata.com/resource/chembl/compound/128
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Subject
(
34
)
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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/C13H6F2O4/c14-8-2-1-5-6-3-9(16)10(17)4-7(6)13(18)19-12(5)11(8)15/h1-4,16-17H
chemicalCompound:standardIn...
RLKJYLCMFBGRQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1cc2C(=O)Oc3c(F)c(F)ccc3c2cc1O
chemicalCompound:molecularF...
C13 H6 F2 O4
chemicalCompound:moleculeId
128
chemicalCompound:mwFreebase
264.181
chemicalCompound:alogp
2.877
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
66.76
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
6.863
chemicalCompound:acdLogP
2.077
chemicalCompound:acdLogD
1.409
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
264.181
chemicalCompound:chemblId
CHEMBL268770
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:100128
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:79939