COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043592
Chemical Name: 5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C

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Molecular Weight: 467.5
Empirical Formula: C23H21N3O6S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.503
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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