COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK922320
Chemical Name: methyl2-({[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl}amino)-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2)OC

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Molecular Weight: 469.56
Empirical Formula: C24H27N3O5S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.717
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 135
Number of rings: 3

     

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