COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545725
Chemical Name: methyl(1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccccc1)(C#N)C(=O)OC

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Molecular Weight: 543.42
Empirical Formula: C29H23BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.822
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 5

     

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