COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545605
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC(=O)OC)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

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Molecular Weight: 720.9
Empirical Formula: C42H56O10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 10.453
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 167
Number of rings: 3

     

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