COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544977
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(4-hydroxy-3-methoxyphenyl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OC)O)CC(=O)OC)c1ccc(c(c1)OC)O

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Molecular Weight: 556.52
Empirical Formula: C28H28O12

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.109
Rotatable bonds: 16
H-donors: 4
H-acceptors: 12
PSA: 186
Number of rings: 3

     

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