COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333850
Chemical Name: 5,5-dimethyl-2-{(2Z)-3-[(3-nitrophenyl)amino]prop-2-enoyl}cyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(=O)/C=C\Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 330.34
Empirical Formula: C17H18N2O5

Available Amount: 0 mg

Lipinsky:
logP: 1.975
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 2

     

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