COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586636
Chemical Name: (2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-]

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Molecular Weight: 429.47
Empirical Formula: C26H23NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.576
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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