COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514274
Chemical Name: 3-(1,3-benzothiazol-2-yl)-8-{[bis(2-hydroxyethyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Smiles: OCC[NH+](Cc1c([O-])ccc2c1oc(=O)c(c2)c1nc2c(s1)cccc2)CCO

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Molecular Weight: 412.47
Empirical Formula: C21H20N2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.537
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 135
Number of rings: 4

     

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