COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK328833
Chemical Name: 7-{4-[(1,6-dimethoxy-1,6-dioxohexan-2-yl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COC(=O)C(NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O)CCCC(=O)OC

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Molecular Weight: 550.61
Empirical Formula: C25H31FN4O7S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 1.639
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 160
Number of rings: 3

     

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