COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK973361
Chemical Name: N-(2-bromo-5-nitrophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1cc(ccc1Br)[N+](=O)[O-]

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Molecular Weight: 397.23
Empirical Formula: C16H17BrN2O5

Physical State: Dry powder
Available Amount: 299 mg

Lipinsky:
logP: 2.354
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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