COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055802
Chemical Name: decyl4-{5-[(1E)-2-cyano-3-(decyloxy)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Smiles: CCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)OCCCCCCCCCC)\C#N

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Molecular Weight: 563.78
Empirical Formula: C35H49NO5

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 12.67
Rotatable bonds: 22
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 2

     

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