COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL129478
Chemical Name: 4-[(2-ammonio-2-carboxyethyl)sulfanyl]-6-ethoxy-2-methylquinolinium
Smiles: CCOc1ccc2c(c1)c(SCC(C(=O)O)[NH3+])cc([nH+]2)C

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Saltdata: 2 Cl-
Molecular Weight: 308.4
Empirical Formula: C15H20N2O3S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 7
H-donors: 5
H-acceptors: 3
PSA: 113
Number of rings: 2

     

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