COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525228
Chemical Name: 5-{(6-hydroxy-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyl}-6-oxo-1,3-diphenyl-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCOCC1)C(c1c(O)n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1

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Molecular Weight: 809.97
Empirical Formula: C45H39N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.354
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 177
Number of rings: 8

     

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