COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682304
Chemical Name: 2-[(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(propylamino)cyclohex-2-en-1-one
Smiles: CCCNC1=C(C(=O)Cc2ccc(c(c2)OCC)OCC)C(=O)CC(C1)(C)C

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Molecular Weight: 387.52
Empirical Formula: C23H33NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.565
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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