COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595023
Chemical Name: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-5-olate
Smiles: Cc1cc([O-])c2c(c1)oc(=O)cc2C[NH+]1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 408.45
Empirical Formula: C23H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.377
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 5

     

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