COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561573
Chemical Name: 5-ethyl-3-{(5-ethyl-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: CCC1C(=NC(=O)C(=C1[O-])C(C1=C(O)C(C(=NC1=O)S)CC)c1ccc(c(c1)C[NH+]1CCCCC1)OC)S

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Molecular Weight: 557.74
Empirical Formula: C28H35N3O5S2

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 5.424
Rotatable bonds: 11
H-donors: 2
H-acceptors: 5
PSA: 193
Number of rings: 4

     

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