SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
253895
Source:
http://linkedlifedata.com/resource/chembl/compound/253895
Search
Subject
Predicate
Object
All
(
38
)
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.
Subject
Predicate
Object
Context
chemicalCompound:253895
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:253895
chemicalCompound:standardIn...
InChI=1S/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m1/s1
lld:chembl
chemicalCompound:253895
chemicalCompound:standardIn...
VUUNELJIFNFWJC-LLVKDONJSA-N
lld:chembl
chemicalCompound:253895
chemicalCompound:canonicalS...
NCCCC[C@@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
lld:chembl
chemicalCompound:253895
chemicalCompound:molecularF...
C12 H18 N4 O3
lld:chembl
chemicalCompound:253895
chemicalCompound:moleculeId
253895
lld:chembl
chemicalCompound:253895
chemicalCompound:mwFreebase
266.296
lld:chembl
chemicalCompound:253895
chemicalCompound:alogp
0.288
lld:chembl
chemicalCompound:253895
chemicalCompound:hba
5
lld:chembl
chemicalCompound:253895
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:253895
chemicalCompound:psa
126.96
lld:chembl
chemicalCompound:253895
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:253895
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:253895
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:253895
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:253895
chemicalCompound:acdMostApk...
12.873
lld:chembl
chemicalCompound:253895
chemicalCompound:acdLogP
1.227
lld:chembl
chemicalCompound:253895
chemicalCompound:acdLogD
-1.832
lld:chembl
chemicalCompound:253895
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:253895
chemicalCompound:fullMwt
266.296
lld:chembl
chemicalCompound:253895
chemicalCompound:acdMostBpk...
10.462
lld:chembl
chemicalCompound:253895
chemicalCompound:chemblId
CHEMBL152565
lld:chembl
chemicalCompound:253895
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:253895
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:253895
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:253895
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:253895
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:253895
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:253895
chemicalCompound:oral
No
lld:chembl
chemicalCompound:253895
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:253895
chemicalCompound:topical
No
lld:chembl
chemicalCompound:253895
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:253895
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:253895
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:253895
chemicalCompound:activity
activity:140292
lld:chembl
chemicalCompound:253895
chemicalCompound:activity
activity:140293
lld:chembl
chemicalCompound:253895
chemicalCompound:activity
activity:140294
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:253895
lld:chembl