COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683925
Chemical Name: 2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-[(2-phenylethyl)amino]cyclohex-2-en-1-one
Smiles: CCOc1cc(ccc1OCC)CC(=O)C1=C(NCCc2ccccc2)CC(CC1=O)(C)C

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Molecular Weight: 449.59
Empirical Formula: C28H35NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.695
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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