COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431946
Chemical Name: (4Z)-1-(4-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: COc1cc(/C=C\2/C(=O)NN(C2=O)c2ccc(cc2)Cl)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 389.75
Empirical Formula: C17H12ClN3O6

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.698
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 3

     

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