COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545463
Chemical Name: dimethyl3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(2-amino-2-oxoethoxy)phenyl]propanoate}
Smiles: COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)OCC(=O)N)CC(=O)OC)c1ccc(cc1)OCC(=O)N

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Molecular Weight: 610.57
Empirical Formula: C30H30N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.254
Rotatable bonds: 14
H-donors: 6
H-acceptors: 12
PSA: 231
Number of rings: 3

     

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