COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL575521
Chemical Name: ethyl(3E)-3-cyano-4-[(1-hexadecylpyridin-4(1H)-ylidene)amino]-2-oxobut-3-enoate
Smiles: CCCCCCCCCCCCCCCCn1cc/c(=N/C=C(/C(=O)C(=O)OCC)\C#N)/cc1

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Molecular Weight: 469.67
Empirical Formula: C28H43N3O3

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 8.227
Rotatable bonds: 18
H-donors: 0
H-acceptors: 3
PSA: 82
Number of rings: 1

     

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