COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK749512
Chemical Name: ethyl6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3,5-dinitrophenyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C1c1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C)C#N)N

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Molecular Weight: 416.39
Empirical Formula: C19H20N4O7

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 2.868
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 176
Number of rings: 2

     

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