COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045192
Chemical Name: (E)-[2-(4-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-chlorophenyl)methanolate
Smiles: Brc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/[O-]

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Molecular Weight: 483.75
Empirical Formula: C23H16BrClN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.693
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 4

     

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