COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546967
Chemical Name: methyl3-(3-hydroxy-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-2-yl)-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate
Smiles: COC(=O)CC(c1oc(CN2CCN(CC2)c2ccc(cc2)OC)cc(=O)c1O)c1ccc(c(c1)CO)OC

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Molecular Weight: 538.6
Empirical Formula: C29H34N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.801
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 118
Number of rings: 4

     

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