COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068964
Chemical Name: 3-[(3,5-dimethoxyphenyl)amino]-5-(4-methylphenyl)cyclohex-2-en-1-one
Smiles: COc1cc(NC2=CC(=O)CC(C2)c2ccc(cc2)C)cc(c1)OC

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Molecular Weight: 337.42
Empirical Formula: C21H23NO3

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 4.074
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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