COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543060
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate]
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)c(c(c1)OC)O)CC(=O)OC)c1cc(OC)c(c(c1)OC)O

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Molecular Weight: 616.58
Empirical Formula: C30H32O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.279
Rotatable bonds: 16
H-donors: 4
H-acceptors: 14
PSA: 204
Number of rings: 3

     

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