COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112168
Chemical Name: N-{1-[(2E)-2-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}hydrazinyl]-3-methyl-1-oxobutan-2-yl}-1,3-benzodioxole-5-carboxamide(non-preferredname)
Smiles: CCOc1cc(/C=N/NC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3)cc(c1OCc1ccc(cc1Cl)Cl)I

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Molecular Weight: 712.37
Empirical Formula: C29H28Cl2IN3O6

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 8.031
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 107
Number of rings: 4

     

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