COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674322
Chemical Name: [5-bromo-2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]aceticacid
Smiles: COc1cc(c(cc1OCC(=O)O)Br)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Saltdata: DMF(5:1)
Molecular Weight: 533.42
Empirical Formula: C26H29BrO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.251
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 99
Number of rings: 4

     

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