COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622439
Chemical Name: (2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O)Cc1ccccc1

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Molecular Weight: 463.92
Empirical Formula: C26H22ClNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.498
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 5

     

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