COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335800
Chemical Name: 7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)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)Nc1ccc3c(c1)OCO3)c(c2)F

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Molecular Weight: 498.53
Empirical Formula: C24H23FN4O5S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 2.155
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 126
Number of rings: 5

     

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