COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367862
Chemical Name: (4E)-2-(3-chloro-4-methylphenyl)-4-[4-(diethylamino)-2-hydroxybenzylidene]-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCN(c1ccc(c(c1)O)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)C)O)CC

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Molecular Weight: 399.88
Empirical Formula: C21H22ClN3O3

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 5.794
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 76
Number of rings: 3

     

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