COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054319
Chemical Name: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2ccc(c(c2)OC)O)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

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Molecular Weight: 458.42
Empirical Formula: C22H22N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.19
Rotatable bonds: 10
H-donors: 3
H-acceptors: 9
PSA: 162
Number of rings: 3

     

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