COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543774
Chemical Name: methyl3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propanoate
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(c(c1)OC)O

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Molecular Weight: 382.37
Empirical Formula: C21H18O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.157
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 110
Number of rings: 3

     

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