COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838272
Chemical Name: (4Z)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1cc2OCOc2cc1Br)c1ccc(c(c1)[N+](=O)[O-])C

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Molecular Weight: 431.2
Empirical Formula: C18H11BrN2O6

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 5.098
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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