COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043370
Chemical Name: 7-(4-{[(2-bromophenyl)carbonyl]carbamothioyl}piperazin-1-ium-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Smiles: CCn1cc(C(=O)[O-])c(=O)c2c1cc(c(c2)F)[NH+]1CCN(CC1)C(=S)NC(=O)c1ccccc1Br

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Molecular Weight: 561.43
Empirical Formula: C24H22BrFN4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.05
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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