COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055704
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(5-bromo-3-chloro-2-hydroxybenzylidene)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)Cl)O

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Molecular Weight: 542.77
Empirical Formula: C24H17BrClN3O5

Physical State: Dry powder
Available Amount: 553 mg

Lipinsky:
logP: 7.218
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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