COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600814
Chemical Name: 3-[(2-hydroxyethyl)sulfanyl]-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: OCCSc1nc(N2CCCC2)c2c(c1C#N)CCCC2

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Molecular Weight: 303.43
Empirical Formula: C16H21N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.789
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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