COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL433524
Chemical Name: (3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)piperidin-4-one
Smiles: COc1cc(/C=C/2\CNC/C(=C\c3cc(OC)c(c(c3)OC)OC)/C2=O)cc(c1OC)OC

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Molecular Weight: 455.51
Empirical Formula: C25H29NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.878
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 84
Number of rings: 3

     

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