COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432300
Chemical Name: (4E)-1-(3-chlorophenyl)-4-(4-methoxy-3-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=O)NN(C1=O)c1cccc(c1)Cl

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Molecular Weight: 373.75
Empirical Formula: C17H12ClN3O5

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.481
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 3

     

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