COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052234
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 450.63
Empirical Formula: C17H9BrClN3O5

Available Amount: 0 mg

Lipinsky:
logP: 5.58
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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