COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088286
Chemical Name: (3E)-3-[3-bromo-4-(dimethylamino)benzylidene]-5-(4-ethoxyphenyl)furan-2(3H)-one
Smiles: CCOc1ccc(cc1)C1=C/C(=C\c2ccc(c(c2)Br)N(C)C)/C(=O)O1

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Molecular Weight: 414.3
Empirical Formula: C21H20BrNO3

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 6.325
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 3

     

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