COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544665
Chemical Name: dimethyl4,4'-[(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(3-methoxy-3-oxopropane-1,1-diyl)]dibenzoate
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)C(=O)OC)CC(=O)OC)c1ccc(cc1)C(=O)OC

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Molecular Weight: 580.55
Empirical Formula: C30H28O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 12
H-donors: 2
H-acceptors: 12
PSA: 179
Number of rings: 3

     

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