COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK622576
Chemical Name: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(3,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)Cl)Cl)/C2=O)CC(C)C)C

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Molecular Weight: 448.39
Empirical Formula: C24H27Cl2NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.555
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 3

     

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