COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047724
Chemical Name: 5-(2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-butyl-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
Smiles: CCCCn1c(S)nc(c(c1=O)C1N(CCc2c1cc(OC)c(c2)OC)C(=O)C)O

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Molecular Weight: 433.53
Empirical Formula: C21H27N3O5S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 3.499
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 3

     

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