COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL034497
Chemical Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3(2H)-one
Smiles: CN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O

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Molecular Weight: 394.43
Empirical Formula: C22H22N2O5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 1.794
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 71
Number of rings: 5

     

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