COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048226
Chemical Name: 3-(3-chlorophenyl)-5-{[1-(3-chlorophenyl)-6-hydroxy-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[2-(pyridin-3-yl)piperidinium-1-yl]methyl}phenyl)methyl}-6-oxo-2-thioxo-1,2,3,6-tetrah
Smiles: COc1ccc(cc1C[NH+]1CCCCC1c1cccnc1)C(c1c(=O)[nH]c(=S)n(c1O)c1cccc(c1)Cl)c1c(=O)[nH]c(=S)n(c1[O-])c1cccc(c1)Cl

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Molecular Weight: 801.77
Empirical Formula: C39H34Cl2N6O5S2

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 6.034
Rotatable bonds: 8
H-donors: 4
H-acceptors: 5
PSA: 198
Number of rings: 7

     

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