COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324134
Chemical Name: S-{2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}O-ethylcarbonodithioate
Smiles: CCOC(=S)SCC(=O)N1CCc2c(C1C1C(=O)CC(CC1=O)(C)C)cc(c(c2)OC)OC

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Molecular Weight: 493.65
Empirical Formula: C24H31NO6S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.039
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 139
Number of rings: 3

     

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