COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL521426
Chemical Name: 5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-(thiomorpholin-4-ylmethyl)-4H-pyran-4-one
Smiles: COc1cc2CN(CCc2cc1OC)Cc1coc(c(c1=O)CN1CCSCC1)O

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Molecular Weight: 432.54
Empirical Formula: C22H28N2O5S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.046
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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