COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541308
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1ccc(c(c1OC)OC)OC

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Molecular Weight: 554.51
Empirical Formula: C28H26O12

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.057
Rotatable bonds: 14
H-donors: 5
H-acceptors: 12
PSA: 181
Number of rings: 4

     

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