COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038427
Chemical Name: 5-(4-ethoxyphenyl)-3-{[5-(4-ethoxyphenyl)-4-hydroxy-2-oxo-6-sulfanyl-2,5-dihydropyridin-3-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-2-oxo-6-sulfanyl-2,5-dihydropyridin-4-olate
Smiles: CCOc1ccc(cc1)C1C(=NC(=O)C(=C1[O-])C(C1=C(O)C(C(=NC1=O)S)c1ccc(cc1)OCC)c1ccc(c(c1)C[NH+]1CCCCC1)OC)S

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Molecular Weight: 741.93
Empirical Formula: C40H43N3O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.073
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 211
Number of rings: 6

     

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