COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171662
Chemical Name: 3-{4-[(E)-2-(5-bromo-1H-indol-3-yl)ethenyl]pyridinium-1-yl}propane-1-sulfonate
Smiles: Brc1ccc2c(c1)c(/C=C/c1cc[n+](cc1)CCCS(=O)(=O)[O-])c[nH]2

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Molecular Weight: 421.31
Empirical Formula: C18H17BrN2O3S

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: -2.777
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 3

     

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