COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160361
Chemical Name: 2-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-1H-indene-1,3(2H)-dione
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=C)/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 469.49
Empirical Formula: C28H23NO6

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 6.704
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 4

     

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