SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
652553
Source:
http://linkedlifedata.com/resource/chembl/compound/652553
Search
Subject
(
32
)
Predicate
Object
All
Download in:
JSON
RDF
N3/Turtle
N-Triples
Named Graph
All
UniProt
NCBIGene
DrugBank
ClinicalTrials
UMLS
PubMed
Mappings
MentionedEntities
Language
All
English
Español
Português
Français
Deutsch
Русский
日本語
Български
Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
chemicalCompound:standardIn...
InChI=1S/C8H11N3O/c1-3-4-11-6-8(5-9-12)10(2)7-11/h3,5-7H,1,4H2,2H3/p+1/b9-5+
chemicalCompound:standardIn...
YJJHIVWMXSDPAQ-WEVVVXLNSA-O
chemicalCompound:canonicalS...
C[n+]1cn(CC=C)cc1\C=N\O
chemicalCompound:molecularF...
C8H12N3O
chemicalCompound:moleculeId
652553
chemicalCompound:mwFreebase
166.2
chemicalCompound:alogp
2
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
41.4
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
9.108
chemicalCompound:acdLogP
-2.443
chemicalCompound:acdLogD
-2.418
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
166.2
chemicalCompound:chemblId
CHEMBL1178603
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:752553
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No