COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541449
Chemical Name: methyl(1R,2R,3R,3aS)-2-(4-bromophenyl)-3-cyano-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccccc1

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Molecular Weight: 513.39
Empirical Formula: C28H21BrN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.807
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 70
Number of rings: 5

     

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