COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555067
Chemical Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrobenzyl)oxy]-4H-chromen-4-one
Smiles: CCc1cc2c(cc1OCc1ccc(cc1)[N+](=O)[O-])oc(c(c2=O)c1nc2c(s1)cccc2)C

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Molecular Weight: 472.52
Empirical Formula: C26H20N2O5S

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 6.762
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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