COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172636
Chemical Name: [2,3-dibromo-4-(cyanomethoxy)-5-ethoxybenzylidene]propanedinitrile
Smiles: N#CCOc1c(OCC)cc(c(c1Br)Br)C=C(C#N)C#N

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Molecular Weight: 411.05
Empirical Formula: C14H9Br2N3O2

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 3.792
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 89
Number of rings: 1

     

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