COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541471
Chemical Name: 7-(4-{[(3,4-difluorophenyl)carbonyl]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)NC(=O)c1ccc(c(c1)F)F)c(c2)F

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Molecular Weight: 518.52
Empirical Formula: C24H21F3N4O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.084
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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