COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856017
Chemical Name: (2Z)-7-[(diethylammonio)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+](CC)CC)[O-]

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Molecular Weight: 381.43
Empirical Formula: C22H23NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.77
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 3

     

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