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695934
Source:
http://linkedlifedata.com/resource/chembl/compound/695934
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Subject
(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
chemicalCompound:standardIn...
AGPKZVBTJJNPAG-WHFBIAKZSA-N
chemicalCompound:canonicalS...
CC[C@H](C)[C@H](N)C(=O)O
chemicalCompound:molecularF...
C6H13NO2
chemicalCompound:moleculeId
695934
chemicalCompound:mwFreebase
131.173
chemicalCompound:alogp
-1.862
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
63.32
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
2.572
chemicalCompound:acdLogP
0.799
chemicalCompound:acdLogD
-1.702
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
131.173
chemicalCompound:acdMostBpk...
10.213
chemicalCompound:chemblId
CHEMBL1233584
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:795934
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
ISOLEUCINE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:17191
chemicalCompound:activity
activity:7928316
,
activity:7928366