COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172576
Chemical Name: (4E)-4-(3-hydroxybenzylidene)-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Ic1ccc(cc1)N1N=C(/C(=C\c2cccc(c2)O)/C1=O)C

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Molecular Weight: 404.21
Empirical Formula: C17H13IN2O2

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 3.759
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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