COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680070
Chemical Name: 3-methyl-1,5-dinitro-9-(3-oxobutan-2-yl)-3-azabicyclo[3.3.1]non-7-en-6-one
Smiles: CN1CC2(C=CC(=O)C(C1)(C2C(C(=O)C)C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 311.29
Empirical Formula: C13H17N3O6

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 2.524
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 2

     

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