COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL146170
Chemical Name: [(1-cyano-4-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl](phenyl)aceticacid
Smiles: CCc1c(SC(c2ccccc2)C(=O)O)nc(c2c1CCCC2)C#N

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Molecular Weight: 352.46
Empirical Formula: C20H20N2O2S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 4.856
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 3

     

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