COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198810
Chemical Name: 4-{[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]methyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)COc1ccc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 523.38
Empirical Formula: C27H23BrO6

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 89
Number of rings: 5

     

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