COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565722
Chemical Name: (E)-[4,5-dioxo-1-(pyridinium-2-yl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1cccc[nH+]1)/[O-]

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Molecular Weight: 387.39
Empirical Formula: C22H17N3O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.77
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 4

     

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