COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057495
Chemical Name: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(c(c1)OC)O

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Molecular Weight: 458.42
Empirical Formula: C22H22N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.312
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 162
Number of rings: 3

     

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