COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549125
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(2,3,4-trimethoxyphenyl)propanoate]
Smiles: COC(=O)CC(c1ccc(c(c1OC)OC)OC)C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1OC)OC)OC)CC(=O)OC

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Molecular Weight: 644.63
Empirical Formula: C32H36O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.05
Rotatable bonds: 18
H-donors: 2
H-acceptors: 14
PSA: 182
Number of rings: 3

     

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