COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172635
Chemical Name: (2E,5E)-2,5-bis(3-bromo-5-ethoxy-4-methoxybenzylidene)cyclopentanone
Smiles: CCOc1cc(/C=C/2\CC/C(=C\c3cc(Br)c(c(c3)OCC)OC)/C2=O)cc(c1OC)Br

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Molecular Weight: 566.29
Empirical Formula: C25H26Br2O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.77
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 3

     

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