COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033692
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl3,4-dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 446.41
Empirical Formula: C25H18O8

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 5.259
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 89
Number of rings: 5

     

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