COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620660
Chemical Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-{[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]C1(C)CCS(=O)(=O)C1)[O-]

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Saltdata: HCl
Molecular Weight: 409.46
Empirical Formula: C19H23NO7S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.487
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 134
Number of rings: 3

     

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