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(Q19597962)
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English
seltorexant (stereochemistry undefined)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
MIN-202.svg
512 × 227; 5 KB
0 references
mass
407.1869865440001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₂FN₇O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1
1 reference
based on heuristic
inferred from InChI
different from
seltorexant
0 references
Identifiers
InChI
InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/67116280
retrieved
April 2018
InChIKey
SQOCEMCKYDVLMM-UHFFFAOYSA-N
0 references
PubChem CID
67116280
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
31215913
1 reference
stated in
UniChem
Guide to Pharmacology Ligand ID
9308
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
Probes And Drugs ID
PD050544
0 references
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