COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL223951
Chemical Name: 1-ethyl-6-imino-8-methyl-3-(4-nitrophenyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Smiles: N#CC1(C#N)C(OC2(C(C1(C#N)C(=N)O2)C)CC)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 365.35
Empirical Formula: C18H15N5O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.034
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 159
Number of rings: 3

     

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