COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK775212
Chemical Name: 2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
Smiles: CCOc1cc(ccc1OCC)CC(=O)C1=C(CC(CC1=O)(C)C)N1CCCC1

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Molecular Weight: 399.53
Empirical Formula: C24H33NO4

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 4.442
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 3

     

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