COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804516
Chemical Name: 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(thiophen-2-ylcarbonyl)-1-azoniabicyclo[2.2.2]octane
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])C[N+]12CCC(CC1)C(C2)C(=O)c1cccs1

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Saltdata: Br-
Molecular Weight: 385.46
Empirical Formula: C20H21N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.189
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 5

     

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