COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507566
Chemical Name: (4E)-4-(4-tert-butylbenzylidene)-2-(3-fluorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1cccc(c1)N1N=C(/C(=C\c2ccc(cc2)C(C)(C)C)/C1=O)O

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Molecular Weight: 338.38
Empirical Formula: C20H19FN2O2

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.924
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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