COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540825
Chemical Name: methyl(1R,2S,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(2,3-dichlorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1Cl)Cl)C(=O)N)C(=O)C

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Molecular Weight: 434.28
Empirical Formula: C20H17Cl2N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.586
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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