COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428759
Chemical Name: {(5E)-5-[2-hydroxy-3-nitro-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2cc(cc(c2O)[N+](=O)[O-])C23CC4CC(C3)CC(C2)C4)/C1=O

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Molecular Weight: 474.56
Empirical Formula: C22H22N2O6S2

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 5.433
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 181
Number of rings: 6

     

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