COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL347334
Chemical Name: 3-ethyl-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: CCC1OC2(C)OC(=N)C1(C#N)C(C2C)(C#N)C#N

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Molecular Weight: 258.28
Empirical Formula: C13H14N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.615
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 113
Number of rings: 3

     

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