COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198849
Chemical Name: 9-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Molecular Weight: 531.61
Empirical Formula: C31H33NO7

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 5.278
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 5

     

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