COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434113
Chemical Name: ethyl3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Smiles: CCOC(=O)C1C(c2ccc(cc2)N(C)C)C2C(=O)NC1(C)NC2=C(C#N)C#N

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Molecular Weight: 393.45
Empirical Formula: C21H23N5O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.949
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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