COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375082
Chemical Name: [2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-6-methoxyphenoxy]aceticacid
Smiles: COc1cc(cc(c1OCC(=O)O)Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 477.31
Empirical Formula: C22H21BrO7

Physical State: Dry powder
Available Amount: 349 mg

Lipinsky:
logP: 1.726
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 4

     

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