COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513838
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: Ic1ccc(o1)/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1

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Molecular Weight: 529.29
Empirical Formula: C22H16IN3O5

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 5.66
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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