COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048799
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(5-bromo-2-hydroxy-3-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: Brc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 553.33
Empirical Formula: C24H17BrN4O7

Physical State: Dry powder
Available Amount: 528 mg

Lipinsky:
logP: 6.723
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 155
Number of rings: 4

     

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