COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK630254
Chemical Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCC2)[O-])c2c(c1)COCO2

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Molecular Weight: 472.34
Empirical Formula: C23H22BrNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.802
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 5

     

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