COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559697
Chemical Name: N-[(2E)-6-bromo-1,3-benzothiazol-2(3H)-ylidene]-1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCn1cc(C(=O)/N=c\2/sc3c([nH]2)ccc(c3)Br)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccco1)c(c2)F

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Molecular Weight: 624.49
Empirical Formula: C28H23BrFN5O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.387
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 6

     

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