COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK141868
Chemical Name: (2E)-N-(4-bromo-2,6-dimethylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1c(C)cc(cc1C)Br)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 409.67
Empirical Formula: C17H14BrClN2O3

Physical State: Dry powder
Available Amount: 470 mg

Lipinsky:
logP: 6.037
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 2

     

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