COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545892
Chemical Name: N-(cyanomethyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
Smiles: N#CCNC(=O)CC(c1ccc(c(c1OC)OC)OC)c1c(O)cc(oc1=O)C

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Molecular Weight: 402.4
Empirical Formula: C20H22N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.25
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 127
Number of rings: 2

     

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