COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160617
Chemical Name: 2-{3-chloro-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
Smiles: COc1cc(cc(c1OCc1cccc(c1)[N+](=O)[O-])Cl)/C=C/1\C(=O)c2c(C1=O)cccc2

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Molecular Weight: 449.85
Empirical Formula: C24H16ClNO6

Physical State: Dry powder
Available Amount: 358 mg

Lipinsky:
logP: 5.942
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 4

     

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