COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546697
Chemical Name: methyl(1R,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dimethoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(c(c1)OC)OC)C(=O)N)C(=O)C

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Molecular Weight: 425.44
Empirical Formula: C22H23N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.258
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 131
Number of rings: 3

     

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