COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677072
Chemical Name: 2-(3,3-dimethyl-7-nitro-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Smiles: O=C1CC(C)(C)CC(=O)C1C1C2=C(Oc3c1cc(cc3)[N+](=O)[O-])CC(CC2=O)(C)C

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Molecular Weight: 411.45
Empirical Formula: C23H25NO6

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: 4.405
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 106
Number of rings: 4

     

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