COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550921
Chemical Name: N-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-N~3~-[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoyl]-beta-alaninamide
Smiles: COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCC(=O)NCc1cc(=O)n(c(=O)n1C)C

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Molecular Weight: 542.55
Empirical Formula: C26H30N4O9

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 0.223
Rotatable bonds: 12
H-donors: 4
H-acceptors: 9
PSA: 174
Number of rings: 3

     

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