COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037636
Chemical Name: (E)-{2-(3-bromophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-chlorophenyl)methanolate
Smiles: Brc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 500.78
Empirical Formula: C23H19BrClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.452
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 4

     

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