COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697908
Chemical Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-[(phenylcarbonyl)oxy]-1-azoniabicyclo[2.2.2]octane
Smiles: Brc1ccc(cc1)C(=O)C[N+]12CCC(CC1)C(C2)OC(=O)c1ccccc1

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Saltdata: Br-
Molecular Weight: 429.33
Empirical Formula: C22H23BrNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.891
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 5

     

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