COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680083
Chemical Name: 3-(2-bromoethyl)-1,5-dinitro-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Smiles: BrCCN1CC2(C=CC(=O)C(C1)(C2CC(=O)c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 452.26
Empirical Formula: C18H18BrN3O6

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 4.839
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 3

     

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