COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531439
Chemical Name: 1-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-hydroxy-L-proline
Smiles: OC1CN([C@@H](C1)C(=O)O)C(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 453.41
Empirical Formula: C23H19NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.845
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 131
Number of rings: 5

     

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