COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093474
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 518.48
Empirical Formula: C26H22N4O8

Physical State: Dry powder
Available Amount: 474 mg

Lipinsky:
logP: 6.208
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 164
Number of rings: 4

     

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