COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198847
Chemical Name: 9-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C

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Molecular Weight: 441.48
Empirical Formula: C24H27NO7

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.655
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 118
Number of rings: 4

     

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