COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383546
Chemical Name: (2E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1Br)[N+](=O)[O-]

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Molecular Weight: 417.18
Empirical Formula: C16H9BrN4O5

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 4.232
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 144
Number of rings: 2

     

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