COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK652109
Chemical Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(3,3-dimethyl-2-oxobutoxy)-4H-pyran-4-one
Smiles: O=C(C(C)(C)C)COc1coc(cc1=O)CN1CCN(CC1)Cc1ccccc1

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Molecular Weight: 398.5
Empirical Formula: C23H30N2O4

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 2.263
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 59
Number of rings: 3

     

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