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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17FN2O3
Molecular Weight 280.2948
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OPAVIRALINE

SMILES

CC[C@@H]1N(C(=O)OC(C)C)C2=C(NC1=O)C=CC(F)=C2

InChI

InChIKey=KELNNWMENBUHNS-NSHDSACASA-N
InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17FN2O3
Molecular Weight 280.2948
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 Fri Dec 15 16:30:38 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:38 UTC 2023
Record UNII
Q3A8EU2NMU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OPAVIRALINE
INN  
INN  
Official Name English
HBY-1293
Code English
GW-420867
Code English
opaviraline [INN]
Common Name English
ISOPROPYL (S)-2-ETHYL-7-FLUORO-3,4-DIHYDRO-3-OXO-1(2H)-QUINOXALINECARBOXYLATE
Systematic Name English
GW-420867X
Code English
Classification Tree Code System Code
NCI_THESAURUS C97453
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
Code System Code Type Description
DRUG BANK
DB07884
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
FDA UNII
Q3A8EU2NMU
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
NCI_THESAURUS
C90786
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
PUBCHEM
154048
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
SMS_ID
300000034254
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
ChEMBL
CHEMBL301370
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
CAS
178040-94-3
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID60170415
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
INN
8020
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY