COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512811
Chemical Name: 4-hydroxy-3-[(2E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)C(=O)/C=C/c1cc(ccc1O)[N+](=O)[O-]

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Molecular Weight: 317.25
Empirical Formula: C15H11NO7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.666
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 129
Number of rings: 2

     

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