COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633920
Chemical Name: 2-{(3S,4R)-4-[(4-ethylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(cc1)CC

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Molecular Weight: 479.62
Empirical Formula: C23H29NO6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.852
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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