COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544239
Chemical Name: 7-(4-{[4-(benzyloxy)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)Nc1ccc(cc1)OCc1ccccc1)c(c2)F

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Molecular Weight: 560.65
Empirical Formula: C30H29FN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.554
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 5

     

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