COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516417
Chemical Name: 4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-6-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)Cc2ccc3c(c2)OCO3)c2c(o1)cc(c(c2)[O-])C

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Molecular Weight: 408.45
Empirical Formula: C23H24N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.759
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 75
Number of rings: 5

     

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