COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK619986
Chemical Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCOCC2)[O-])c2c(c1)COCO2

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Molecular Weight: 474.31
Empirical Formula: C22H20BrNO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.223
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 5

     

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