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Sources
167623
Source:
http://linkedlifedata.com/resource/chembl/compound/167623
Search
Subject
(
87
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
chemicalCompound:standardIn...
HNDVDQJCIGZPNO-RXMQYKEDSA-N
chemicalCompound:canonicalS...
N[C@H](Cc1c[nH]cn1)C(=O)O
chemicalCompound:molecularF...
C6H9N3O2
chemicalCompound:moleculeId
167623
chemicalCompound:mwFreebase
155.155
chemicalCompound:alogp
-3.576
chemicalCompound:hba
4
chemicalCompound:hbd
3
chemicalCompound:psa
92
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
1.914
chemicalCompound:acdLogP
-1.418
chemicalCompound:acdLogD
-3.978
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
chemicalCompound:fullMwt
155.155
chemicalCompound:acdMostBpk...
9.455
chemicalCompound:chemblId
CHEMBL104875
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:267623
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
D-HISTIDINE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:27947
chemicalCompound:activity
activity:422942
,
activity:422943
,
activity:1759501
,
activity:1759502
,
activity:1759503
,
activity:1902649
,
activity:1902666
,
activity:1902683
,
activity:1902700
,
activity:2017308
,
activity:2017324
,
activity:2032252
,
activity:2032268
,
activity:2032284
,
activity:2143090
,
activity:2143107
,
activity:2143124
,
activity:2143141
,
activity:2271821
,
activity:2271822
,
activity:2271823
,
activity:2566117
,
activity:2566118
,
activity:2566119
,
activity:2566120
,
activity:2566125
,
activity:2566126
,
activity:2566127
,
activity:2566128
,
activity:2593041
,
activity:2593058
,
activity:2593076
,
activity:2593094
,
activity:2593112
,
activity:2593130
,
activity:2630961
,
activity:2630963
,
activity:2630965
,
activity:2630983
,
activity:3094093
,
activity:3094094
,
activity:3127556
,
activity:3127557
,
activity:3127558
,
activity:3127559
,
activity:3212637
,
activity:3212656
,
activity:3212675
,
activity:3212694
,
activity:3616389
,
activity:4124812