COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554411
Chemical Name: S-{2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}O-ethylcarbonodithioate
Smiles: CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cccc2

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Molecular Weight: 433.59
Empirical Formula: C22H27NO4S2

Physical State: Dry powder
Available Amount: 191 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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