SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
1228462
Source:
http://linkedlifedata.com/resource/chembl/compound/1228462
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:parent
chemicalCompound:421350
chemicalCompound:standardIn...
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1
chemicalCompound:standardIn...
ZXKXJHAOUFHNAS-FVGYRXGTSA-N
chemicalCompound:canonicalS...
Cl.CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F
chemicalCompound:molecularF...
C12H17ClF3N
chemicalCompound:moleculeId
1228462
chemicalCompound:mwFreebase
231.257
chemicalCompound:alogp
3.357
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
12.03
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.554
chemicalCompound:acdLogD
0.909
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
267.718
chemicalCompound:acdMostBpk...
10.231
chemicalCompound:chemblId
CHEMBL1887891
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1328462
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:6657628