COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360921
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Smiles: N#Cc1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc(c2c1CCCC2)C

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Molecular Weight: 395.48
Empirical Formula: C21H21N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.983
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 4

     

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