COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584438
Chemical Name: (2Z)-2-(3-chlorobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)Cl)/C2=O

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Molecular Weight: 414.89
Empirical Formula: C22H23ClN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.011
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 77
Number of rings: 4

     

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