COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408891
Chemical Name: N-{1-(3-methylbutyl)-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-4-nitrobenzenesulfonamide
Smiles: CC(CCn1c2nc3ccccc3nc2c(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)C)C

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Molecular Weight: 593.68
Empirical Formula: C28H27N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.75
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 173
Number of rings: 5

     

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