COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK199278
Chemical Name: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: CCOc1cc(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: 455.51
Empirical Formula: C25H29NO7

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.186
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 118
Number of rings: 4

     

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