COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK189627
Chemical Name: (5Z)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C

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Molecular Weight: 561.59
Empirical Formula: C29H24FN3O6S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 145
Number of rings: 4

     

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