COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548111
Chemical Name: methyl3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(cc1)OCC(=C)C

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Molecular Weight: 406.44
Empirical Formula: C24H22O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.462
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 3

     

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