SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
495238
Source:
http://linkedlifedata.com/resource/chembl/compound/495238
Search
Subject
(
100
of
many
)
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/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
chemicalCompound:standardIn...
ZOTNSCLLJKXGSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2C(F)(F)F
chemicalCompound:molecularF...
C22H21F3N8
chemicalCompound:moleculeId
495238
chemicalCompound:mwFreebase
454.451
chemicalCompound:alogp
3.891
chemicalCompound:hba
7
chemicalCompound:hbd
1
chemicalCompound:psa
74.48
chemicalCompound:rtb
5
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.622
chemicalCompound:acdLogD
2.312
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
454.451
chemicalCompound:acdMostBpk...
7.601
chemicalCompound:chemblId
CHEMBL468963
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:595238
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:2254006
,
activity:2254042
,
activity:2254060
,
activity:2822403
,
activity:2848034
,
activity:2851770
,
activity:2865339
,
activity:2876199
,
activity:2881982
,
activity:7320310
,
activity:8069437
,
activity:8069438
,
activity:8069439
,
activity:8069440
,
activity:8069441
,
activity:8069442
,
activity:8069443
,
activity:8069444
,
activity:8069445
,
activity:8069446
,
activity:8069447
,
activity:8069448
,
activity:8069449
,
activity:8069450
,
activity:8069451
,
activity:8069452
,
activity:8069453
,
activity:8069454
,
activity:8069455
,
activity:8069456
,
activity:8069457
,
activity:8069458
,
activity:8069459
,
activity:8069460
,
activity:8069461
,
activity:8069462
,
activity:8069463
,
activity:8069464
,
activity:8069465
,
activity:8069466
,
activity:8069467
,
activity:8069468
,
activity:8069469
,
activity:8069470
,
activity:8069471
,
activity:8069472
,
activity:8069473
,
activity:8069474
,
activity:8069475
,
activity:8069476
,
activity:8069477
,
activity:8069478
,
activity:8069479
,
activity:8069480
,
activity:8069481
,
activity:8069482
,
activity:8069483
,
activity:8069484
,
activity:8069485
,
activity:8069486
,
activity:8069487
,
activity:8069488
,
activity:8069489
,
activity:8069490
,
activity:8069491
,
activity:8069492
,
activity:8069493
More...