COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333585
Chemical Name: 1-ethyl-6-fluoro-4-oxo-7-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F)c(c2)F

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Molecular Weight: 522.52
Empirical Formula: C24H22F4N4O3S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 3.301
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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