COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364686
Chemical Name: 2-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]phenyl4-nitrobenzoate
Smiles: N#C/C(=C\c1ccccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)c1ccccc1

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Molecular Weight: 398.37
Empirical Formula: C23H14N2O5

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 4.998
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 112
Number of rings: 3

     

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