COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK165613
Chemical Name: 2-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
Smiles: Brc1cc(ccc1OCc1cccc(c1)[N+](=O)[O-])/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 464.27
Empirical Formula: C23H14BrNO5

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 5.906
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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