COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055197
Chemical Name: (E)-{2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: Clc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

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Molecular Weight: 479.92
Empirical Formula: C25H22ClN3O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.506
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 5

     

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