COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK722544
Chemical Name: 4-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-2-methoxyphenol
Smiles: COc1cc(ccc1O)C1N2CC3(CN1CC(C2)(C3(C)C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 378.39
Empirical Formula: C17H22N4O6

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 4.417
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 127
Number of rings: 5

     

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