COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172431
Chemical Name: {5-bromo-4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Smiles: N#CCOc1cc(Br)c(cc1OC)/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 398.21
Empirical Formula: C19H12BrNO4

Physical State: Dry powder
Available Amount: 27 mg

Lipinsky:
logP: 4.611
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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