COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667013
Chemical Name: 3,3,6,6-tetramethyl-9-(4-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)[N+](=O)[O-])C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 395.46
Empirical Formula: C23H25NO5

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.885
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 89
Number of rings: 4

     

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