COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055019
Chemical Name: 3-{2-ammonio-3-[(3-methylbutoxy)carbonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}phenolate
Smiles: CC(CCOC(=O)c1c2nc3ccccc3nc2n(c1[NH3+])c1cccc(c1)[O-])C

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Molecular Weight: 390.44
Empirical Formula: C22H22N4O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.553
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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