COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543057
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3,5-dimethoxyphenyl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)cc(c1)OC)CC(=O)OC)c1cc(OC)cc(c1)OC

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Molecular Weight: 584.58
Empirical Formula: C30H32O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.594
Rotatable bonds: 14
H-donors: 2
H-acceptors: 12
PSA: 164
Number of rings: 3

     

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