COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL544062
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate
Smiles: COC(=O)CC(c1coc2c(c1=O)cc(cc2)OC)c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O

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Molecular Weight: 562.49
Empirical Formula: C29H22O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.604
Rotatable bonds: 12
H-donors: 5
H-acceptors: 12
PSA: 189
Number of rings: 5

     

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