COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477723
Chemical Name: (4E)-4-[(2E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)/C(=C/1\C(=NN(C1=O)c1ccccc1)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 422.48
Empirical Formula: C27H22N2O3

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 5.852
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 5

     

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