COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515860
Chemical Name: (2Z)-7-[(dipropylammonio)methyl]-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1OC)OC)OC)/C2=O)CCC

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Molecular Weight: 441.52
Empirical Formula: C25H31NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.474
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 81
Number of rings: 3

     

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