COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887694
Chemical Name: dimethyl2-({[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2)C(=O)OC

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Molecular Weight: 467.55
Empirical Formula: C24H25N3O5S

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 6.177
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 3

     

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