COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK992431
Chemical Name: tert-butyl{[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Smiles: O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 396.4
Empirical Formula: C22H20O7

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.068
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 80
Number of rings: 4

     

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