COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131072
Chemical Name: 1-[4-(3,4-dimethoxybenzyl)piperazin-1-yl]-3-methylbutan-1-one
Smiles: COc1cc(ccc1OC)CN1CCN(CC1)C(=O)CC(C)C

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Saltdata: C2H2O4
Molecular Weight: 320.43
Empirical Formula: C18H28N2O3

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 2.303
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 42
Number of rings: 2

     

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