COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592417
Chemical Name: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/C2=O)CCOC

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Molecular Weight: 441.48
Empirical Formula: C24H27NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.087
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 98
Number of rings: 3

     

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