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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18FN7O3
Molecular Weight 447.4218
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-585248

SMILES

FC1=C2C(=CNC2=C(N=C1)N3C=CN=N3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChIKey=YILIMUKOYIOIAY-UHFFFAOYSA-N
InChI=1S/C22H18FN7O3/c23-16-13-25-20(30-7-6-26-27-30)18-17(16)15(12-24-18)19(31)22(33)29-10-8-28(9-11-29)21(32)14-4-2-1-3-5-14/h1-7,12-13,24H,8-11H2

HIDE SMILES / InChI

Molecular Formula C22H18FN7O3
Molecular Weight 447.4218
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Protection against HIV-envelope-induced neuronal cell destruction by HIV attachment inhibitors.
2010-05
Heterobiaryl human immunodeficiency virus entry inhibitors.
2009-07-23
Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group.
2007-12-27
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:25:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:25:44 GMT 2025
Record UNII
CIO2TZZ9H1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-ETHANEDIONE, 1-(4-BENZOYL-1-PIPERAZINYL)-2-(4-FLUORO-7-(1H-1,2,3-TRIAZOL-1-YL)-1H-PYRROLO(2,3-C)PYRIDIN-3-YL)-
Preferred Name English
BMS-585248
Common Name English
PIPERAZINE, 1-BENZOYL-4-((4-FLUORO-7-(1H-1,2,3-TRIAZOL-1-YL)-1H-PYRROLO(2,3-C)PYRIDIN-3-YL)OXOACETYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701352356
Created by admin on Mon Mar 31 21:25:44 GMT 2025 , Edited by admin on Mon Mar 31 21:25:44 GMT 2025
PRIMARY
PUBCHEM
11193463
Created by admin on Mon Mar 31 21:25:44 GMT 2025 , Edited by admin on Mon Mar 31 21:25:44 GMT 2025
PRIMARY
CAS
619331-12-3
Created by admin on Mon Mar 31 21:25:44 GMT 2025 , Edited by admin on Mon Mar 31 21:25:44 GMT 2025
PRIMARY
FDA UNII
CIO2TZZ9H1
Created by admin on Mon Mar 31 21:25:44 GMT 2025 , Edited by admin on Mon Mar 31 21:25:44 GMT 2025
PRIMARY