SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
960087
Source:
http://linkedlifedata.com/resource/chembl/compound/960087
Search
Subject
(
55
)
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/C19H17N3O2S/c1-24-16-8-2-5-14(11-16)12-21-22-18(23)13-25-17-9-3-6-15-7-4-10-20-19(15)17/h2-12H,13H2,1H3,(H,22,23)
chemicalCompound:standardIn...
YIXAOCWRGPSSCX-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1cccc(C=NNC(=O)CSc2cccc3cccnc23)c1
chemicalCompound:molecularF...
C19H17N3O2S
chemicalCompound:moleculeId
960087
chemicalCompound:mwFreebase
351.422
chemicalCompound:alogp
3.246
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
88.88
chemicalCompound:rtb
6
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
11.944
chemicalCompound:acdLogP
3.925
chemicalCompound:acdLogD
3.925
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
351.422
chemicalCompound:acdMostBpk...
3.322
chemicalCompound:chemblId
CHEMBL1536203
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1060087
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:3701157
,
activity:4009128
,
activity:4079865
,
activity:4334403
,
activity:4412137
,
activity:4586094
,
activity:4603365
,
activity:4813435
,
activity:4904446
,
activity:5421704
,
activity:5502564
,
activity:5573235
,
activity:6562609
,
activity:6729770
,
activity:6758100
,
activity:7029866
,
activity:7054432
,
activity:7066556
,
activity:7301473
,
activity:7464620
,
activity:7465277