COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK394262
Chemical Name: (4E)-1-(3,4-dichlorophenyl)-4-[5-methoxy-4-(3-methylbutoxy)-2-nitrobenzylidene]pyrazolidine-3,5-dione
Smiles: COc1cc(/C=C/2\C(=O)NN(C2=O)c2ccc(c(c2)Cl)Cl)c(cc1OCCC(C)C)[N+](=O)[O-]

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Molecular Weight: 494.33
Empirical Formula: C22H21Cl2N3O6

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 6.027
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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