COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK328922
Chemical Name: 1-ethyl-6-fluoro-4-oxo-7-{4-[(9H-xanthen-9-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)C1c3ccccc3Oc3c1cccc3)c(c2)F

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Molecular Weight: 586.64
Empirical Formula: C31H27FN4O5S

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 2.98
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 6

     

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