COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007728
Chemical Name: (2Z)-6-hydroxy-7-[(2-methylpiperidin-1-yl)methyl]-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
Smiles: CC1CCCCN1Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Available Amount: 0 mg

Lipinsky:
logP: 3.777
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 95
Number of rings: 4

     

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