COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL157802
Chemical Name: 2-{[4-(2,4-dichlorobenzyl)piperazin-1-yl]methyl}-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
Smiles: OCc1oc(CN2CCN(CC2)Cc2ccc(cc2Cl)Cl)c(c(=O)c1)O

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Molecular Weight: 399.27
Empirical Formula: C18H20Cl2N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.488
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 73
Number of rings: 3

     

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