COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043891
Chemical Name: 5-{[4,6-dihydroxy-1-(2-methylphenyl)-2-thioxo-1,2-dihydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-4-hydroxy-1-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(O)nc(n(c1=O)c1ccccc1C)[S-])c1c(O)nc(=S)n(c1O)c1ccccc1C

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Molecular Weight: 760.94
Empirical Formula: C41H40N6O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 10
H-donors: 4
H-acceptors: 5
PSA: 167
Number of rings: 7

     

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