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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H19N5O3
Molecular Weight 413.4287
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXLS-1451

SMILES

CN1C2=CC=CN=C2NC3=C(C=C(CCOC4=CC=[N+]([O-])C5=CC=CC=C45)C=N3)C1=O

InChI

InChIKey=FVTURRZWKDZLFR-UHFFFAOYSA-N
InChI=1S/C23H19N5O3/c1-27-19-7-4-10-24-22(19)26-21-17(23(27)29)13-15(14-25-21)9-12-31-20-8-11-28(30)18-6-3-2-5-16(18)20/h2-8,10-11,13-14H,9,12H2,1H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C23H19N5O3
Molecular Weight 413.4287
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 16:46:53 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:53 GMT 2023
Record UNII
3FS2A1V9UL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXLS-1451
Common Name English
EXLS 1451
Common Name English
6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, 5,11-DIHYDRO-5-METHYL-8-(2-((1-OXIDO-4-QUINOLINYL)OXY)ETHYL)-
Systematic Name English
BILR-355 METABOLITE M11
Common Name English
Code System Code Type Description
FDA UNII
3FS2A1V9UL
Created by admin on Sat Dec 16 16:46:54 GMT 2023 , Edited by admin on Sat Dec 16 16:46:54 GMT 2023
PRIMARY
CAS
1426814-66-5
Created by admin on Sat Dec 16 16:46:54 GMT 2023 , Edited by admin on Sat Dec 16 16:46:54 GMT 2023
PRIMARY
PUBCHEM
90912558
Created by admin on Sat Dec 16 16:46:54 GMT 2023 , Edited by admin on Sat Dec 16 16:46:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO