COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037144
Chemical Name: 4-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)C(=O)[O-])N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 437.45
Empirical Formula: C23H23N3O6

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 0.614
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 103
Number of rings: 5

     

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