COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543730
Chemical Name: methyl3-[4-(prop-2-yn-1-yloxy)phenyl]-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate
Smiles: C#CCOc1ccc(cc1)C(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)CC(=O)OC

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Molecular Weight: 486.48
Empirical Formula: C28H22O8

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.807
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 122
Number of rings: 4

     

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