COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367244
Chemical Name: 3-{2-[(E)-2-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)ethenyl]quinolinium-1-yl}propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[n+]1c(/C=C/c2ccc3c(c2)OCCOCCOCCOCCO3)ccc2c1cccc2

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Molecular Weight: 543.64
Empirical Formula: C28H33NO8S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 115
Number of rings: 4

     

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