COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557942
Chemical Name: ethyl(1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

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Molecular Weight: 496.52
Empirical Formula: C29H24N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.353
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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