COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629641
Chemical Name: (2Z)-7-[(dibutylammonio)methyl]-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O)CCCC

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Molecular Weight: 437.54
Empirical Formula: C26H31NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.896
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 3

     

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