COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL518661
Chemical Name: 8-{[(1,3-benzodioxol-5-ylmethyl)ammonio]methyl}-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1ccc2c(c1)OCO2)[O-]

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Saltdata: HCl
Molecular Weight: 439.47
Empirical Formula: C24H25NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.517
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 4

     

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