COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149637
Chemical Name: (E)-[1-(5-bromopyridinium-2-yl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-chlorophenyl)methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(c[nH+]1)Br)/[O-]

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Molecular Weight: 514.72
Empirical Formula: C22H13BrClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.596
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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