COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382687
Chemical Name: (2E)-2-cyano-3-(3,5-dibromo-4-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)Br)OC)/C(=O)Nc1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 495.13
Empirical Formula: C18H13Br2N3O4

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 5.467
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 2

     

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