COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK107171
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: HCl
Molecular Weight: 398.46
Empirical Formula: C22H26N2O5

Physical State: Dry powder
Available Amount: 436 mg

Lipinsky:
logP: 2.466
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 60
Number of rings: 4

     

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