COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311853
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(1,2-dithiolan-3-yl)pentan-1-one
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCCCC1SSCC1

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Molecular Weight: 408.59
Empirical Formula: C20H28N2O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.462
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 92
Number of rings: 4

     

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