COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL518720
Chemical Name: 8-{[(1,3-benzodioxol-5-ylmethyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1ccc2c(c1)OCO2)[O-]

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Saltdata: HCl
Molecular Weight: 411.41
Empirical Formula: C22H21NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.754
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 4

     

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