COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541702
Chemical Name: 7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1cc(ccc1Cl)C(F)(F)F)c(c2)F

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Molecular Weight: 556.97
Empirical Formula: C24H21ClF4N4O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.882
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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