U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H22BrFN2O2
Molecular Weight 421.303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHO-4'Me-5'Br-FUBOXPYRA

SMILES

CC1=C(NC(=O)C2CCCCC2)C(=O)N(CC3=CC=C(F)C=C3)C=C1Br

InChI

InChIKey=CKYYASUICQFJPH-UHFFFAOYSA-N
InChI=1S/C20H22BrFN2O2/c1-13-17(21)12-24(11-14-7-9-16(22)10-8-14)20(26)18(13)23-19(25)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,23,25)

HIDE SMILES / InChI

Molecular Formula C20H22BrFN2O2
Molecular Weight 421.303
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:01:26 GMT 2023
Edited
by admin
on Sat Dec 16 20:01:26 GMT 2023
Record UNII
G6D6CFR8E9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHO-4'Me-5'Br-FUBOXPYRA
Common Name English
CH-FUBBMPDORA
Common Name English
N-[5-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3-pyridyl]cyclohexanecarboxamide
Systematic Name English
Code System Code Type Description
FDA UNII
G6D6CFR8E9
Created by admin on Sat Dec 16 20:01:26 GMT 2023 , Edited by admin on Sat Dec 16 20:01:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Assumed target and agonist
Related Record Type Details
ACTIVE MOIETY