COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856260
Chemical Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)/C2=O)CC

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Molecular Weight: 460.32
Empirical Formula: C22H22BrNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.088
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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