COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541290
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1cc(OC)c2c(c1)OCCO2

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Molecular Weight: 552.49
Empirical Formula: C28H24O12

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.985
Rotatable bonds: 12
H-donors: 5
H-acceptors: 12
PSA: 181
Number of rings: 5

     

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