COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008075
Chemical Name: [(5Z)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 453.5
Empirical Formula: C21H15N3O5S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.434
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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