COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072758
Chemical Name: 2-[(2-methylacryloyl)oxy]ethyl6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)OCCOC(=O)C(=C)C)C

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Molecular Weight: 413.39
Empirical Formula: C20H19N3O7

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 2.725
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 157
Number of rings: 2

     

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