COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL129469
Chemical Name: 4-[(2-ammonio-2-carboxyethyl)sulfanyl]-6-methoxy-2-phenylquinolinium
Smiles: COc1ccc2c(c1)c(SCC(C(=O)O)[NH3+])cc([nH+]2)c1ccccc1

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Saltdata: 2 Cl-
Molecular Weight: 356.45
Empirical Formula: C19H20N2O3S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 3.634
Rotatable bonds: 6
H-donors: 5
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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