COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL235491
Chemical Name: 3-amino-2-[2-(2-hydroxyethoxy)ethyl]-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: OCCOCCn1c(N)c(C#N)c2c(c1=S)CCCC2

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Molecular Weight: 293.39
Empirical Formula: C14H19N3O2S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 0.182
Rotatable bonds: 6
H-donors: 3
H-acceptors: 2
PSA: 114
Number of rings: 2

     

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