COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336039
Chemical Name: 5-(3-amino-2-cyano-3-oxo-1-phenylpropyl)-2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-olate
Smiles: N#CC(C(C1=C([O-])OC(OC1=O)(C)C)c1ccccc1)C(=O)N

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Saltdata: N(C2H5)3+
Molecular Weight: 315.31
Empirical Formula: C16H15N2O5

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 1.193
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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