COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559975
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1cccnc1)C

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Molecular Weight: 366.42
Empirical Formula: C20H22N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.443
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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