COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187939
Chemical Name: 5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C=C1C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 441.46
Empirical Formula: C21H19N3O6S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.479
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 136
Number of rings: 3

     

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