COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565478
Chemical Name: 4-({[2,5-bis(methoxycarbonyl)phenyl]ammonio}methyl)-7-methyl-2-oxo-2H-chromen-6-olate
Smiles: COC(=O)c1ccc(cc1[NH2+]Cc1cc(=O)oc2c1cc([O-])c(c2)C)C(=O)OC

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Molecular Weight: 397.38
Empirical Formula: C21H19NO7

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 4.955
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 118
Number of rings: 3

     

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