COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544845
Chemical Name: 3,7-bis[(3,5-dinitrophenyl)carbonyl]-1,5-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: CCC12CN(CC(C2=O)(CN(C1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 584.5
Empirical Formula: C25H24N6O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.884
Rotatable bonds: 2
H-donors: 0
H-acceptors: 11
PSA: 240
Number of rings: 4

     

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