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1303393
Source:
http://linkedlifedata.com/resource/chembl/compound/1303393
Search
Subject
(
90
)
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:parent
chemicalCompound:16552
chemicalCompound:standardIn...
InChI=1S/C4H5N3O.Na/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);/q;+1
chemicalCompound:standardIn...
JVLUYUNNSCKSOF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
[Na+].NC1=NC(=O)NC=C1
chemicalCompound:molecularF...
C4H5N3NaO
chemicalCompound:moleculeId
1303393
chemicalCompound:mwFreebase
111.102
chemicalCompound:alogp
-0.958
chemicalCompound:hba
3
chemicalCompound:hbd
2
chemicalCompound:psa
67.48
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
12.339
chemicalCompound:acdLogP
-1.73
chemicalCompound:acdLogD
-1.73
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
134.092
chemicalCompound:acdMostBpk...
4.4
chemicalCompound:chemblId
CHEMBL1982102
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1403393
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:8269306
,
activity:8386284
,
activity:8419718
,
activity:8443967
,
activity:8485984
,
activity:8571168
,
activity:8647656
,
activity:8649581
,
activity:8672599
,
activity:8765475
,
activity:8771878
,
activity:8865454
,
activity:8914248
,
activity:8957292
,
activity:8977510
,
activity:9070265
,
activity:9174222
,
activity:9199220
,
activity:9213893
,
activity:9282623
,
activity:9296489
,
activity:9307013
,
activity:9345953
,
activity:9432078
,
activity:9434397
,
activity:9441178
,
activity:9508929
,
activity:9680774
,
activity:9735830
,
activity:9755403
,
activity:9785088
,
activity:9877988
,
activity:9911819
,
activity:9945327
,
activity:10044032
,
activity:10067205
,
activity:10087757
,
activity:10152477
,
activity:10194704
,
activity:10240473
,
activity:10280283
,
activity:10354589
,
activity:10396584
,
activity:10457310
,
activity:10471503
,
activity:10531948
,
activity:10538912
,
activity:10581919
,
activity:10597279
,
activity:10662397
,
activity:10695018
,
activity:10715291
,
activity:10770683
,
activity:10812458
,
activity:10820965