COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382761
Chemical Name: (2E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])/C(=O)Nc1ccc(cc1Br)[N+](=O)[O-]

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Molecular Weight: 497.26
Empirical Formula: C21H13BrN4O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.817
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 157
Number of rings: 3

     

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