COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187717
Chemical Name: (5E)-5-{3,5-diiodo-4-[(3-nitrobenzyl)oxy]benzylidene}-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(I)c(c(c2)I)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 755.33
Empirical Formula: C26H19I2N3O6S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 6.865
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 145
Number of rings: 4

     

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