COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528546
Chemical Name: 2-(ethoxycarbonyl)-6-ethyl-3-(1-methyl-1H-benzimidazol-1-ium-2-yl)-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2cc([O-])c(cc2c(=O)c1C1=Nc2c([NH+]1C)cccc2)CC

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Molecular Weight: 392.41
Empirical Formula: C22H20N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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