COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546435
Chemical Name: N-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoyl]-beta-alanine
Smiles: COc1c(ccc(c1OC)OC)C(c1c(O)cc(oc1=O)C)CC(=O)NCCC(=O)O

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Molecular Weight: 435.43
Empirical Formula: C21H25NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.581
Rotatable bonds: 12
H-donors: 3
H-acceptors: 9
PSA: 140
Number of rings: 2

     

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