COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK161012
Chemical Name: 2-(3-bromo-4,5-diethoxybenzylidene)-1H-indene-1,3(2H)-dione
Smiles: CCOc1cc(cc(c1OCC)Br)/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 401.26
Empirical Formula: C20H17BrO4

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 5.585
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 3

     

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