COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622610
Chemical Name: 8-{[(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-3,4-dimethyl-2-oxo-2H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH2+]C1CCS(=O)(=O)C1)oc(=O)c(c2C)C

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Saltdata: HCl
Molecular Weight: 337.4
Empirical Formula: C16H19NO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.212
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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