COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK582019
Chemical Name: 2-[(E)-{[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]iminio}methyl]-6-methoxyphenolate
Smiles: CCOC(=O)c1c(/[NH+]=C/c2cccc(c2[O-])OC)sc2c1CCC2

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Molecular Weight: 345.42
Empirical Formula: C18H19NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.047
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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