COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077471
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)cc(c1O)Br

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Molecular Weight: 538.35
Empirical Formula: C25H20BrN3O6

Physical State: Dry powder
Available Amount: 457 mg

Lipinsky:
logP: 6.274
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 118
Number of rings: 4

     

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