COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628904
Chemical Name: 6-chloro-8-{[(1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: O=c1cc(C)c2c(o1)c(C[NH2+]C1CCS(=O)(=O)C1)c(c(c2)Cl)[O-]

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Saltdata: HCl
Molecular Weight: 357.81
Empirical Formula: C15H16ClNO5S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.424
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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