COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK166619
Chemical Name: ethyl4-{[4-cyano-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(c2cccs2)c2c(c1C#N)CCCC2

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Molecular Weight: 400.52
Empirical Formula: C20H20N2O3S2

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 5.504
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 133
Number of rings: 3

     

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