COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560569
Chemical Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-en-1-ylcarbamothioyl)piperazin-1-ium-1-yl]-1,4-dihydroquinoline-3-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1cc([NH+]1CCN(CC1)C(=S)NCC=C)c(c2)F

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Molecular Weight: 418.49
Empirical Formula: C20H23FN4O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.395
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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