COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544403
Chemical Name: 2,2'-{(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[(3-methoxy-3-oxopropane-1,1-diyl)(2-methoxybenzene-4,1-diyl)oxy]}diaceticacid
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OC)OCC(=O)O)CC(=O)OC)c1ccc(c(c1)OC)OCC(=O)O

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Molecular Weight: 672.6
Empirical Formula: C32H32O16

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.061
Rotatable bonds: 22
H-donors: 4
H-acceptors: 16
PSA: 238
Number of rings: 3

     

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