COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL283067
Chemical Name: (3aS,4R,9bR)-4-{3-bromo-4-[(3,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Smiles: COc1cc(cc(c1OCc1ccc(c(c1)Cl)Cl)Br)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)[N+](=O)[O-]

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Molecular Weight: 576.27
Empirical Formula: C26H21BrCl2N2O4

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 7.318
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 76
Number of rings: 5

     

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