COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058972
Chemical Name: 4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol
Smiles: CC1(C)C2(CN3CC1(CN(C2)C3c1cc(Br)ccc1O)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 427.25
Empirical Formula: C16H19BrN4O5

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 5.719
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 118
Number of rings: 5

     

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