COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381989
Chemical Name: (4E)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Ic1ccc(cc1)N1N=C(/C(=C\C=C\c2ccco2)/C1=O)C

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Molecular Weight: 404.21
Empirical Formula: C17H13IN2O2

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 3.761
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 45
Number of rings: 3

     

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