COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528380
Chemical Name: 6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1-phenyl-1,4-dihydropyrimidine-2-thiolate
Smiles: COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1ccccc1)[S-]

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Molecular Weight: 439.49
Empirical Formula: C22H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.403
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 85
Number of rings: 5

     

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