COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058917
Chemical Name: ethyl6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dichlorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)C1(C#N)C2C=CC(=CN2C(C1c1ccc(c(c1)Cl)Cl)C(=O)N)C(=O)C

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Molecular Weight: 448.31
Empirical Formula: C21H19Cl2N3O4

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.117
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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