COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL521523
Chemical Name: 3-hydroxy-6-(hydroxymethyl)-2-{[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Smiles: COc1c(ccc(c1OC)OC)CN1CCN(CC1)Cc1oc(CO)cc(=O)c1O

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Molecular Weight: 420.46
Empirical Formula: C21H28N2O7

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 0.725
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 100
Number of rings: 3

     

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