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111091
Source:
http://linkedlifedata.com/resource/chembl/compound/111091
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Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:111091
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:111091
chemicalCompound:standardIn...
InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
lld:chembl
chemicalCompound:111091
chemicalCompound:standardIn...
LDSJMFGYNFIFRK-BDAKNGLRSA-N
lld:chembl
chemicalCompound:111091
chemicalCompound:canonicalS...
N[C@H](Cc1ccccc1)[C@H](O)C(=O)O
lld:chembl
chemicalCompound:111091
chemicalCompound:molecularF...
C10 H13 N O3
lld:chembl
chemicalCompound:111091
chemicalCompound:moleculeId
111091
lld:chembl
chemicalCompound:111091
chemicalCompound:mwFreebase
195.215
lld:chembl
chemicalCompound:111091
chemicalCompound:alogp
-2.116
lld:chembl
chemicalCompound:111091
chemicalCompound:hba
4
lld:chembl
chemicalCompound:111091
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:111091
chemicalCompound:psa
83.55
lld:chembl
chemicalCompound:111091
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:111091
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:111091
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:111091
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:111091
chemicalCompound:acdMostApk...
2.973
lld:chembl
chemicalCompound:111091
chemicalCompound:acdLogP
0.275
lld:chembl
chemicalCompound:111091
chemicalCompound:acdLogD
-2.229
lld:chembl
chemicalCompound:111091
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
lld:chembl
chemicalCompound:111091
chemicalCompound:fullMwt
195.215
lld:chembl
chemicalCompound:111091
chemicalCompound:acdMostBpk...
8.986
lld:chembl
chemicalCompound:111091
chemicalCompound:chemblId
CHEMBL70899
lld:chembl
chemicalCompound:111091
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:111091
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:111091
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:111091
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:111091
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:111091
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:111091
chemicalCompound:oral
No
lld:chembl
chemicalCompound:111091
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:111091
chemicalCompound:topical
No
lld:chembl
chemicalCompound:111091
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:111091
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:111091
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:111091
chemicalCompound:activity
activity:99398
lld:chembl
chemicalCompound:111091
chemicalCompound:activity
activity:129291
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:111091
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:111091
lld:chembl