COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039692
Chemical Name: 3-hydroxy-5,5-dimethyl-2-[(1E)-N-(4-methylphenyl)ethanimidoyl]cyclohex-2-en-1-one
Smiles: Cc1ccc(cc1)/N=C(/C1=C(O)CC(CC1=O)(C)C)\C

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Molecular Weight: 271.36
Empirical Formula: C17H21NO2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.599
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 49
Number of rings: 2

     

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