COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL281650
Chemical Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-[(E)-2-phenylethenyl]pyridiniumbromide
Smiles: O=C(c1ccc2c(c1)OCCO2)C[n+]1ccc(cc1)/C=C/c1ccccc1.[Br-]

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Molecular Weight: 438.32
Empirical Formula: C23H20BrNO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 39
Number of rings: 4

     

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