COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL238065
Chemical Name: 3-amino-2-(2-hydroxypropyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(N)n(CC(O)C)c(=S)c2c1CCCC2

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Molecular Weight: 263.36
Empirical Formula: C13H17N3OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.608
Rotatable bonds: 3
H-donors: 3
H-acceptors: 1
PSA: 105
Number of rings: 2

     

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