COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL321428
Chemical Name: ethyl6-acetyl-3-carbamoyl-1-cyano-2-(4-nitrophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)N)C(=O)C

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Molecular Weight: 424.41
Empirical Formula: C21H20N4O6

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 1.782
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 159
Number of rings: 3

     

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