COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409106
Chemical Name: ethyl1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)C1(C#N)C(c2ccc(cc2)[N+](=O)[O-])C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC

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Molecular Weight: 602.44
Empirical Formula: C30H24BrN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.083
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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