COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443422
Chemical Name: (4Z)-5-hydroxy-2-(4-methylphenyl)-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)cc(c1OC)OC

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Molecular Weight: 368.39
Empirical Formula: C20H20N2O5

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 3.233
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 3

     

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