COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198876
Chemical Name: 9-{3-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 489.52
Empirical Formula: C28H27NO7

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 3.743
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 5

     

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