SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
10068
Source:
http://linkedlifedata.com/resource/chembl/compound/10068
Search
Subject
(
38
)
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
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C10H15N3O7S/c1-21(17,18)20-8-5(4-14)19-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)
chemicalCompound:standardIn...
VAUJJKNQYHUZFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CS(=O)(=O)OC1C(O)C(OC1CO)N2C=CC(=NC2=O)N
chemicalCompound:molecularF...
C10 H15 N3 O7 S
chemicalCompound:moleculeId
10068
chemicalCompound:mwFreebase
321.307
chemicalCompound:alogp
-2.413
chemicalCompound:hba
9
chemicalCompound:hbd
3
chemicalCompound:psa
160.13
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
12.791
chemicalCompound:acdLogP
-2.022
chemicalCompound:acdLogD
-2.022
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
321.307
chemicalCompound:acdMostBpk...
4.263
chemicalCompound:chemblId
CHEMBL12023
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:110068
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:221183
,
activity:221184
,
activity:221185
,
activity:221186