COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160997
Chemical Name: 2-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1H-indene-1,3(2H)-dione
Smiles: C#CCOc1c(I)cc(cc1OC)/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 444.23
Empirical Formula: C20H13IO4

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 4.733
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 3

     

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