COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK637023
Chemical Name: 2-{(3S,4R)-4-[(4-ethylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}-1,2,3,4-tetrahydroisoquinoline
Smiles: CCc1ccc(cc1)S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2c(C1)cccc2

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Molecular Weight: 419.57
Empirical Formula: C21H25NO4S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.115
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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