COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522849
Chemical Name: 4-{(1E)-2-cyano-3-oxo-3-[(2,4,6-trimethylphenyl)amino]prop-1-en-1-yl}phenyl4-bromobenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)Br)/C(=O)Nc1c(C)cc(cc1C)C

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Molecular Weight: 489.37
Empirical Formula: C26H21BrN2O3

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 7.077
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 3

     

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