COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446157
Chemical Name: (4E)-2-(4-acetylphenyl)-5-methyl-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(cc2)C(=O)C)C)cc(c1OC)OC

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 2.349
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 3

     

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