COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541707
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-[4-(octyloxy)phenyl]propanoate
Smiles: CCCCCCCCOc1ccc(cc1)C(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)CC(=O)OC

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Molecular Weight: 592.64
Empirical Formula: C33H36O10

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 7.253
Rotatable bonds: 17
H-donors: 5
H-acceptors: 10
PSA: 162
Number of rings: 4

     

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