COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059199
Chemical Name: 6,6-dimethyl-5,7-dinitro-2-(3-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)c1cccc(c1)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 377.36
Empirical Formula: C16H19N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.178
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 143
Number of rings: 5

     

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