SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
1248776
Source:
http://linkedlifedata.com/resource/chembl/compound/1248776
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/C25H31ClN2O5/c1-30-23-15-21(27)20(26)14-19(23)25(29)33-16-18-6-9-28(10-7-18)8-2-3-17-4-5-22-24(13-17)32-12-11-31-22/h4-5,13-15,18H,2-3,6-12,16,27H2,1H3
chemicalCompound:standardIn...
AJVNZBQUOHOEQO-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cc(N)c(Cl)cc1C(=O)OCC2CCN(CCCc3ccc4OCCOc4c3)CC2
chemicalCompound:molecularF...
C25H31ClN2O5
chemicalCompound:moleculeId
1248776
chemicalCompound:mwFreebase
474.977
chemicalCompound:alogp
4.422
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
83.25
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.112
chemicalCompound:acdLogD
2.583
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
474.977
chemicalCompound:acdMostBpk...
8.921
chemicalCompound:chemblId
CHEMBL1908857
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1348776
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No