COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382718
Chemical Name: (2E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(2-chloro-4-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OC)/C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 466.68
Empirical Formula: C18H13BrClN3O5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 5.025
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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