COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539548
Chemical Name: methyl(1R,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4,5-trimethoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cc(OC)c(c(c1)OC)OC)C(=O)N)C(=O)C

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Molecular Weight: 455.47
Empirical Formula: C23H25N3O7

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 0.96
Rotatable bonds: 4
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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