COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562843
Chemical Name: (E)-1-benzofuran-2-yl{2-(3-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Brc1cccc(c1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

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Molecular Weight: 525.4
Empirical Formula: C26H25BrN2O5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.257
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 5

     

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