COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002589
Chemical Name: methyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-fluorophenyl)-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)F)C(=O)N)C(=O)C

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Molecular Weight: 383.38
Empirical Formula: C20H18FN3O4

Available Amount: 0 mg

Lipinsky:
logP: 1.572
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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