COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544291
Chemical Name: methyl3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propanoate
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc2c(c1)OCCO2

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Molecular Weight: 394.38
Empirical Formula: C22H18O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.854
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 4

     

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