COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322358
Chemical Name: 4-[(2-bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoicacid
Smiles: O=C1CC(C)(C)CC(=C1Br)Nc1ccc(cc1)C(=O)O

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Molecular Weight: 338.2
Empirical Formula: C15H16BrNO3

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 3.049
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 2

     

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