COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697904
Chemical Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octane
Smiles: Brc1ccc(cc1)C(=O)C[N+]12CCC(CC1)/C(=C(/c1ccccc1)\c1ccccc1)/C2

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Saltdata: Br-
Molecular Weight: 473.43
Empirical Formula: C28H27BrNO

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.334
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 17
Number of rings: 6

     

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