COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL338714
Chemical Name: S-{2-[1-(2,6-dioxocyclohexyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}O-ethylcarbonodithioate
Smiles: CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CCCC1=O)cccc2

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Molecular Weight: 405.54
Empirical Formula: C20H23NO4S2

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 3.269
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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