COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK679160
Chemical Name: 9-(4-hydroxy-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)[N+](=O)[O-])O)C1=C(O2)CC(CC1=O)(C)C

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Molecular Weight: 411.45
Empirical Formula: C23H25NO6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.646
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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