COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526236
Chemical Name: (1S,2S,3aR)-2-(4-chlorophenyl)-1-[(4-ethoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: CCOc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)Cl)(C#N)C#N

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Molecular Weight: 479.97
Empirical Formula: C29H22ClN3O2

Physical State: Dry powder
Available Amount: 299 mg

Lipinsky:
logP: 5.612
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 5

     

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