COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198389
Chemical Name: N'-[(E)-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}methylidene]-5-nitro-1-benzofuran-2-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2oc3c(c2)cc(cc3)[N+](=O)[O-])cc(c1OCc1ccc(cc1)Cl)CC=C

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Molecular Weight: 533.97
Empirical Formula: C28H24ClN3O6

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 6.034
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 118
Number of rings: 4

     

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