COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL146087
Chemical Name: methyl4-[(E)-{[2-amino-3-(pentylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]imino}methyl]benzoate
Smiles: CCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(=O)OC

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Molecular Weight: 458.52
Empirical Formula: C25H26N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.362
Rotatable bonds: 7
H-donors: 3
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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