COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542745
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]propanoate}
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OCC(=O)N)OC)CC(=O)OC)c1ccc(c(c1)OCC(=O)N)OC

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Molecular Weight: 670.63
Empirical Formula: C32H34N2O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.897
Rotatable bonds: 20
H-donors: 6
H-acceptors: 14
PSA: 250
Number of rings: 3

     

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