COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK545061
Chemical Name: methyl(1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC

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Molecular Weight: 588.41
Empirical Formula: C29H22BrN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.552
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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