COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545535
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate}
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OCC(=O)OC)OC)CC(=O)OC)c1ccc(c(c1)OCC(=O)OC)OC

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Molecular Weight: 700.65
Empirical Formula: C34H36O16

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.197
Rotatable bonds: 22
H-donors: 2
H-acceptors: 16
PSA: 216
Number of rings: 3

     

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