COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540510
Chemical Name: methyl3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-chromen-8-yl]-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Smiles: COC(=O)CC(c1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O)c1cnn(c1)C

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Molecular Weight: 468.42
Empirical Formula: C23H20N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.567
Rotatable bonds: 11
H-donors: 5
H-acceptors: 9
PSA: 171
Number of rings: 4

     

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