COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039805
Chemical Name: (E)-(4-bromophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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Molecular Weight: 524.41
Empirical Formula: C26H26BrN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.024
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 4

     

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