COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057136
Chemical Name: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(3-methoxypropyl)-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1[N+](=O)[O-]

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Molecular Weight: 410.43
Empirical Formula: C22H22N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.474
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 112
Number of rings: 3

     

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