COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK746483
Chemical Name: (1S,2S,3aR)-2-(4-ethoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: CCOc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1

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Molecular Weight: 445.52
Empirical Formula: C29H23N3O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.857
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 5

     

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