COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK481671
Chemical Name: (2E)-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Cn1nc(c(c1C)Br)C)OC)/C(=O)C(C)(C)C

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Molecular Weight: 430.34
Empirical Formula: C21H24BrN3O2

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 4.603
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 67
Number of rings: 2

     

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