COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538848
Chemical Name: 3-{5-[1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]furan-2-yl}benzoicacid
Smiles: COC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(o1)c1cccc(c1)C(=O)O

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Molecular Weight: 398.37
Empirical Formula: C21H18O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.463
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 123
Number of rings: 3

     

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