COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543602
Chemical Name: 7-[4-({[3-(benzyloxy)phenyl]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)c1cccc(c1)OCc1ccccc1)c(c2)F

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Molecular Weight: 588.66
Empirical Formula: C31H29FN4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.521
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 5

     

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