COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553488
Chemical Name: 2-[2-carboxy-1-(6-methoxy-4-oxo-4H-chromen-3-yl)ethyl]-3-hydroxy-1,4,5-trimethyl-1H-imidazol-3-ium
Smiles: COc1ccc2c(c1)c(=O)c(co2)C(c1[n+](O)c(c(n1C)C)C)CC(=O)O

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Saltdata: Cl-
Molecular Weight: 373.39
Empirical Formula: C19H21N2O6

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 0.839
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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