COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530326
Chemical Name: N~2~-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-L-asparagine
Smiles: O=C(N[C@H](C(=O)O)CC(=O)N)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 454.39
Empirical Formula: C22H18N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.276
Rotatable bonds: 8
H-donors: 4
H-acceptors: 9
PSA: 163
Number of rings: 4

     

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