SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
44836
Source:
http://linkedlifedata.com/resource/chembl/compound/44836
Search
Subject
(
35
)
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/C18H23N3O/c19-9-5-11-21-14-7-2-1-6-13(14)17-16(22)12-20-10-4-3-8-15(20)18(17)21/h1-2,6-7,15H,3-5,8-12,19H2
chemicalCompound:standardIn...
NSSCUFMOMIKWCY-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NCCCn1c2C3CCCCN3CC(=O)c2c4ccccc14
chemicalCompound:molecularF...
C18 H23 N3 O
chemicalCompound:moleculeId
44836
chemicalCompound:mwFreebase
297.395
chemicalCompound:alogp
2.192
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
51.26
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.314
chemicalCompound:acdLogD
-0.411
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
297.395
chemicalCompound:acdMostBpk...
10.235
chemicalCompound:chemblId
CHEMBL416206
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:144836
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:31885
,
activity:31886