COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543732
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(methylsulfanyl)phenyl]propanoate}
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)SC)CC(=O)OC)c1ccc(cc1)SC

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Molecular Weight: 556.66
Empirical Formula: C28H28O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.144
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 177
Number of rings: 3

     

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