COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743544
Chemical Name: (4E)-4-(3,5-di-tert-butyl-2-methoxybenzylidene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1c(/C=C/2\C(=NN(C2=O)c2ccccc2)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C

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Molecular Weight: 466.62
Empirical Formula: C31H34N2O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.762
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 4

     

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