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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21ClFN9O
Molecular Weight 481.913
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES(1-ETHOXYCARBONYLOXYETHYL) PF-06815345

SMILES

CN1N=CC(=C1C2=NN=NN2)C3=C(F)C=C(C=C3)C(=O)N([C@@H]4CCCNC4)C5=C(Cl)C=CC=N5

InChI

InChIKey=WDDHVXHOLRXCMY-CQSZACIVSA-N
InChI=1S/C22H21ClFN9O/c1-32-19(20-28-30-31-29-20)16(12-27-32)15-7-6-13(10-18(15)24)22(34)33(14-4-2-8-25-11-14)21-17(23)5-3-9-26-21/h3,5-7,9-10,12,14,25H,2,4,8,11H2,1H3,(H,28,29,30,31)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H21ClFN9O
Molecular Weight 481.913
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:46:48 UTC 2023
Edited
by admin
on Sat Dec 16 14:46:48 UTC 2023
Record UNII
5D0ONZ8VXS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DES(1-ETHOXYCARBONYLOXYETHYL) PF-06815345
Common Name English
PF-06815345 ACTIVE METABOLITE
Common Name English
N-(3-CHLORO-2-PYRIDINYL)-3-FLUORO-4-(1-METHYL-5-(2H-TETRAZOL-5-YL)-1H-PYRAZOL-4-YL)-N-(3R)-3-PIPERIDINYLBENZAMIDE
Systematic Name English
BENZAMIDE, N-(3-CHLORO-2-PYRIDINYL)-3-FLUORO-4-(1-METHYL-5-(2H-TETRAZOL-5-YL)-1H-PYRAZOL-4-YL)-N-(3R)-3-PIPERIDINYL-
Systematic Name English
Code System Code Type Description
CAS
1900686-41-0
Created by admin on Sat Dec 16 14:46:49 UTC 2023 , Edited by admin on Sat Dec 16 14:46:49 UTC 2023
PRIMARY
PUBCHEM
121268228
Created by admin on Sat Dec 16 14:46:49 UTC 2023 , Edited by admin on Sat Dec 16 14:46:49 UTC 2023
PRIMARY
FDA UNII
5D0ONZ8VXS
Created by admin on Sat Dec 16 14:46:49 UTC 2023 , Edited by admin on Sat Dec 16 14:46:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET->INHIBITOR OF EXPRESSION
SELECTIVELY INHIBITS RIBOSOMAL TRANSLATION
IC50
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PRODRUG -> METABOLITE ACTIVE