COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL174117
Chemical Name: (2E,5E)-2,5-bis(3,4-diethoxy-5-iodobenzylidene)cyclopentanone
Smiles: CCOc1cc(/C=C/2\CC/C(=C\c3cc(I)c(c(c3)OCC)OCC)/C2=O)cc(c1OCC)I

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Molecular Weight: 688.34
Empirical Formula: C27H30I2O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 9.179
Rotatable bonds: 10
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 3

     

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