COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150812
Chemical Name: 4-hydroxy-5-{[4-hydroxy-1-(2-methylphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl][4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-1-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)nc(n(c1=O)c1ccccc1C)S)c1c(O)nc(n(c1=O)c1ccccc1C)[S-]

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Molecular Weight: 685.83
Empirical Formula: C35H35N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.135
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 167
Number of rings: 6

     

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