COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533009
Chemical Name: (2E)-N-{1-benzyl-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-2-yl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])n(c2c1nc1ccccc1n2)Cc1ccccc1

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Molecular Weight: 603.66
Empirical Formula: C33H25N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.369
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 6

     

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