COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL507671
Chemical Name: (4Z)-2-(3,4-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C)C)O)cc(c1O)I

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Molecular Weight: 478.29
Empirical Formula: C20H19IN2O4

Physical State: Dry powder
Available Amount: 840 mg

Lipinsky:
logP: 4.813
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 82
Number of rings: 3

     

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