COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046688
Chemical Name: (4E)-5-(4-bromophenyl)-1-(2-hydroxyethyl)-4-[hydroxy(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: OCCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

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Molecular Weight: 447.24
Empirical Formula: C19H15BrN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.072
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 123
Number of rings: 3

     

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