COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233460
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2,6-dichlorobenzyl)sulfanyl]ethanone
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSCc1c(Cl)cccc1Cl

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Molecular Weight: 453.39
Empirical Formula: C21H22Cl2N2O3S

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 4.709
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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