COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK631238
Chemical Name: (2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

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Molecular Weight: 450.33
Empirical Formula: C24H20BrNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.431
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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