COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL034954
Chemical Name: methyl2-({(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)propanoate
Smiles: COC(=O)C(Oc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)/C2=O)C

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Molecular Weight: 461.27
Empirical Formula: C21H17BrO7

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.361
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 80
Number of rings: 4

     

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