COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113500
Chemical Name: 2-({4-bromo-2-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Smiles: CCCC1=NN(C(=O)/C/1=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1

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Molecular Weight: 500.39
Empirical Formula: C27H22BrN3O2

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 6.566
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 65
Number of rings: 4

     

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