COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172437
Chemical Name: {4-[bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-2-bromo-6-ethoxyphenoxy}acetonitrile
Smiles: N#CCOc1c(Br)cc(cc1OCC)C(c1c(=O)n(n(c1C)C)c1ccccc1)c1c(=O)n(n(c1C)C)c1ccccc1

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Molecular Weight: 642.55
Empirical Formula: C33H32BrN5O4

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 3.367
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 5

     

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