COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542831
Chemical Name: methyl3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 426.42
Empirical Formula: C23H22O8

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.628
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 3

     

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