COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK140372
Chemical Name: (4Z)-4-(2-butoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCOc1ccccc1/C=C\1/C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 334.42
Empirical Formula: C21H22N2O2

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 4.913
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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