COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK152520
Chemical Name: (5E)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Smiles: C#CCN1C(=O)S/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 417.44
Empirical Formula: C22H15N3O4S

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 4.635
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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