COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK862442
Chemical Name: 3-[hydroxy(dithiophen-2-yl)methyl]-1-(2-nitrobenzyl)-1-azoniabicyclo[2.2.2]octane
Smiles: [O-][N+](=O)c1ccccc1C[N+]12CCC(CC1)C(C2)C(c1cccs1)(c1cccs1)O

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Saltdata: Cl-
Molecular Weight: 441.6
Empirical Formula: C23H25N2O3S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.335
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 122
Number of rings: 6

     

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