COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023797
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1oc(c(c1)Br)Br

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Molecular Weight: 561.19
Empirical Formula: C22H15Br2N3O5

Physical State: Dry powder
Available Amount: 429 mg

Lipinsky:
logP: 6.138
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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