COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147639
Chemical Name: 3-{[4-hydroxy-5-(4-methylphenyl)-2-oxo-6-sulfanyl-2,5-dihydropyridin-3-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-5-(4-methylphenyl)-2-oxo-6-sulfanyl-2,5-dihydropyridin-4-olate
Smiles: COc1ccc(cc1C[NH+]1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1ccc(cc1)C)C1=C([O-])C(C(=NC1=O)S)c1ccc(cc1)C

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Molecular Weight: 681.88
Empirical Formula: C38H39N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.1
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 193
Number of rings: 6

     

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