COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400300
Chemical Name: diethyl(2E,2'E)-3,3'-[methanediylbis(2,4,6-trimethylbenzene-3,1-diyl)]bis(2-cyanoprop-2-enoate)
Smiles: CCOC(=O)/C(=C/c1c(C)cc(c(c1C)Cc1c(C)cc(c(c1C)/C=C(/C(=O)OCC)\C#N)C)C)/C#N

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Molecular Weight: 498.62
Empirical Formula: C31H34N2O4

Available Amount: 0 mg

Lipinsky:
logP: 7.25
Rotatable bonds: 10
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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