COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577512
Chemical Name: (4E)-1-butyl-5-(4-chlorophenyl)-4-[hydroxy(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

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Molecular Weight: 414.85
Empirical Formula: C21H19ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.024
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 103
Number of rings: 3

     

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