COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633976
Chemical Name: 2-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2c(C1)cccc2)C

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Molecular Weight: 435.57
Empirical Formula: C21H25NO5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.499
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 4

     

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