COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683924
Chemical Name: 2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
Smiles: CCOc1cc(ccc1OCC)CC(=O)C1=C(NC)CC(CC1=O)(C)C

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Molecular Weight: 359.47
Empirical Formula: C21H29NO4

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 3.502
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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