COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559014
Chemical Name: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Br)/O)/C1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 447.24
Empirical Formula: C19H15BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.143
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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