COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198905
Chemical Name: 9-{4-[(4-nitrobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CCCC2=C1C(c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])C1=C(O2)CCCC1=O

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Molecular Weight: 445.47
Empirical Formula: C26H23NO6

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 3.39
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 5

     

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