COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057787
Chemical Name: (2E)-N-[1-butyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: CCCCn1c2nc3ccccc3nc2c(c1NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-])S(=O)(=O)c1ccccc1

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Molecular Weight: 555.61
Empirical Formula: C29H25N5O5S

Available Amount: 0 mg

Lipinsky:
logP: 8.796
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 5

     

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