COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL241103
Chemical Name: pentyl2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCCCCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)CC=C

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Molecular Weight: 513.55
Empirical Formula: C28H27N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.257
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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