COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383311
Chemical Name: 4-[1-cyano-2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyethyl]benzonitrile
Smiles: N#CC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)O)c1ccc(cc1)C#N

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Molecular Weight: 353.33
Empirical Formula: C18H15N3O5

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 2.212
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 132
Number of rings: 2

     

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