COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK164796
Chemical Name: 2-[(E)-{[2-(1H-imidazol-1-ium-4-yl)ethyl]imino}methyl]-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Smiles: [O-]C1=C(/C=N/CCC2=C[NH2+]C=N2)C(=O)CC(C1)(C)C

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Molecular Weight: 261.32
Empirical Formula: C14H19N3O2

Available Amount: 0 mg

Lipinsky:
logP: 1.332
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 65
Number of rings: 2

     

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