COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK631099
Chemical Name: 8-{[(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-2-oxo-4-propyl-2H-chromen-7-olate
Smiles: CCCc1cc(=O)oc2c1ccc(c2C[NH2+]C1CCS(=O)(=O)C1)[O-]

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Saltdata: HCl
Molecular Weight: 351.42
Empirical Formula: C17H21NO5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.684
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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