COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553522
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-[2-carboxy-1-(2,3-dimethoxyphenyl)ethyl]-3-hydroxy-4,5-dimethyl-1H-imidazol-3-ium
Smiles: COc1cccc(c1OC)C(c1[n+](O)c(c(n1Cc1ccc2c(c1)OCO2)C)C)CC(=O)O

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Saltdata: Cl-
Molecular Weight: 455.49
Empirical Formula: C24H27N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.168
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 103
Number of rings: 4

     

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