COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525974
Chemical Name: 3-[(2-cyanoethyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

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Molecular Weight: 328.44
Empirical Formula: C17H20N4OS

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 2.867
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 98
Number of rings: 3

     

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