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Chemical structure of BMS-378806 (BMS-806)

GC10263

BMS-378806 (BMS-806)

Also known as 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

BMS-378806 (BMS-806) is a potent HIV-1 attachment inhibitor that interferes with CD4-gp120 interactions

ChemicalCAS357263-13-9MW406.43FormulaC22H22N4O4
CAS number
357263-13-9
Molecular weight
406.43
Formula
C22H22N4O4
Solubility
≥ 20·2mg/mL in DMSO
InChIKey
OKGPFTLYBPQBIX-CQSZACIVSA-N
Catalogue number
GC10263
Brand
GLPBIO
Computed properties PubChem CID 5495818 · XLogP 2 · TPSA 95.6 Ų · H-bond donors 1
XLogP
2
TPSA
95.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)C(=O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 5495818), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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