SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
546600
Source:
http://linkedlifedata.com/resource/chembl/compound/546600
Search
Subject
(
39
)
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:667354
chemicalCompound:standardIn...
InChI=1S/C15H21ClN2O.ClH/c1-3-18(4-2)14(19)15(9-12(15)10-17)11-5-7-13(16)8-6-11;/h5-8,12H,3-4,9-10,17H2,1-2H3;1H/t12?,15-;/m0./s1
chemicalCompound:standardIn...
BQVGMMZEMYVSEG-GNFRJPFZSA-N
chemicalCompound:canonicalS...
Cl.CCN(CC)C(=O)[C@@]1(CC1CN)c2ccc(Cl)cc2
chemicalCompound:molecularF...
C15H22Cl2N2O
chemicalCompound:moleculeId
546600
chemicalCompound:mwFreebase
280.793
chemicalCompound:alogp
1.952
chemicalCompound:hba
2
chemicalCompound:hbd
1
chemicalCompound:psa
46.33
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.596
chemicalCompound:acdLogD
-1.153
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
317.254
chemicalCompound:acdMostBpk...
10.358
chemicalCompound:chemblId
CHEMBL544804
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:646600
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:459172
,
activity:459173
,
activity:459174
,
activity:459175
,
activity:459176