COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629707
Chemical Name: (2Z)-2-(2,6-dichlorobenzylidene)-7-[(dipropylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c(Cl)cccc1Cl)/C2=O)CCC

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Molecular Weight: 420.33
Empirical Formula: C22H23Cl2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 3

     

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