COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554205
Chemical Name: ethyl(1S,3S,3aR)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@H]1C[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 392.41
Empirical Formula: C22H20N2O5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.658
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 92
Number of rings: 4

     

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