COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553625
Chemical Name: methyl(1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

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Molecular Weight: 414.5
Empirical Formula: C26H26N2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.567
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 70
Number of rings: 4

     

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