COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323287
Chemical Name: ethyl4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(C)c2c(c1C#N)CCCC2

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Molecular Weight: 332.42
Empirical Formula: C17H20N2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.373
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 2

     

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