COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113653
Chemical Name: (4E)-4-[3-bromo-4-(butan-2-yloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCC(Oc1ccc(cc1Br)/C=C/1\C(=NN(C1=O)c1ccccc1)C)C

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Molecular Weight: 413.31
Empirical Formula: C21H21BrN2O2

Physical State: Dry powder
Available Amount: 341 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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