COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL399609
Chemical Name: (2E)-3-{5-[(4-bromo-3-chlorophenoxy)methyl]furan-2-yl}-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Smiles: CCn1nc(c(c1)C(=O)/C=C/c1ccc(o1)COc1ccc(c(c1)Cl)Br)C

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Molecular Weight: 449.73
Empirical Formula: C20H18BrClN2O3

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 6.334
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 57
Number of rings: 3

     

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