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Sources
9771
Source:
http://linkedlifedata.com/resource/chembl/compound/9771
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Subject
(
33
)
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/C10H11N3O/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8/h1-3,7H,4-5,11H2,(H,12,14)
chemicalCompound:standardIn...
WZANXVXLOKIMAM-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC1Cc2cccc3nc(O)n(C1)c23
chemicalCompound:molecularF...
C10 H11 N3 O
chemicalCompound:moleculeId
9771
chemicalCompound:mwFreebase
189.214
chemicalCompound:alogp
1.125
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
64.06
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.359
chemicalCompound:acdLogP
1.203
chemicalCompound:acdLogD
0.413
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
189.214
chemicalCompound:acdMostBpk...
7.949
chemicalCompound:chemblId
CHEMBL269673
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:109771
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No