COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013436
Chemical Name: (4E)-4-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1OCCOCCOc1ccc(c(c1)C)C)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 514.62
Empirical Formula: C31H34N2O5

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 6.138
Rotatable bonds: 11
H-donors: 0
H-acceptors: 5
PSA: 69
Number of rings: 4

     

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