COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055880
Chemical Name: (4E)-4-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1C)C)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 470.57
Empirical Formula: C29H30N2O4

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 6.268
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 60
Number of rings: 4

     

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