COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484681
Chemical Name: (5Z)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1

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Molecular Weight: 503.54
Empirical Formula: C26H21N3O6S

Physical State: Dry powder
Available Amount: 282 mg

Lipinsky:
logP: 5
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 145
Number of rings: 4

     

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