COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172204
Chemical Name: [5-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetonitrile
Smiles: N#CCOc1cc(Br)c(cc1OC)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 458.31
Empirical Formula: C22H20BrNO5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.667
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 4

     

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