COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046818
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(5-bromo-2-hydroxy-3-methylbenzylidene)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)C)O

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Molecular Weight: 522.36
Empirical Formula: C25H20BrN3O5

Physical State: Dry powder
Available Amount: 442 mg

Lipinsky:
logP: 6.972
Rotatable bonds: 5
H-donors: 3
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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