COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547020
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(propan-2-yloxy)phenyl]propanoate}
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)OC(C)C)CC(=O)OC)c1ccc(cc1)OC(C)C

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Molecular Weight: 580.63
Empirical Formula: C32H36O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.761
Rotatable bonds: 12
H-donors: 2
H-acceptors: 10
PSA: 145
Number of rings: 3

     

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