COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK328889
Chemical Name: 1-ethyl-6-fluoro-7-(4-{[1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CSCCC(C(=O)OC)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

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Molecular Weight: 524.64
Empirical Formula: C23H29FN4O5S2

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 2.066
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 159
Number of rings: 3

     

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