COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541821
Chemical Name: 3,7-bis[(3,5-dinitrophenyl)carbonyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 556.45
Empirical Formula: C23H20N6O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.822
Rotatable bonds: 0
H-donors: 0
H-acceptors: 11
PSA: 240
Number of rings: 4

     

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