COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170522
Chemical Name: (1S,2S,3aR)-7-bromo-2-(3-methoxyphenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2c3ccc(cc3C=C[C@@H]2C([C@@H]1c1cccc(c1)OC)(C#N)C#N)Br

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Molecular Weight: 540.42
Empirical Formula: C29H22BrN3O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.474
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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