COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529737
Chemical Name: 3-butyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylpyrimidin-4(3H)-one
Smiles: CCCCn1c(S)nc(c(c1=O)C1N(C)CCc2c1c(OC)c1c(c2)OCO1)O

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Molecular Weight: 419.5
Empirical Formula: C20H25N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.245
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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