COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565812
Chemical Name: methyl(1R,2R,3S,8aS)-6-acetyl-3-(2-amino-2-oxoethyl)-1-cyano-2-(4-methoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)OC)CC(=O)N)C(=O)C

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Molecular Weight: 409.44
Empirical Formula: C22H23N3O5

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 1.252
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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