COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532723
Chemical Name: N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-alanine
Smiles: O=C(N[C@@H](C(=O)O)C)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 411.37
Empirical Formula: C21H17NO8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.05
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 120
Number of rings: 4

     

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