COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023793
Chemical Name: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl4-tert-butylbenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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Molecular Weight: 514.62
Empirical Formula: C32H34O6

Physical State: Dry powder
Available Amount: 614 mg

Lipinsky:
logP: 5.608
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 78
Number of rings: 5

     

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