COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK989826
Chemical Name: heptyl2-amino-1-[4-(butan-2-yl)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCCCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1ccc(cc1)C(CC)C

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Molecular Weight: 458.6
Empirical Formula: C28H34N4O2

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 8.407
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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