COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004207
Chemical Name: N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3,5-dibromo-4-hydroxybenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cc(Br)c(c(c1)Br)O

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Molecular Weight: 587.22
Empirical Formula: C24H17Br2N3O5

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 7.42
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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