COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039101
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: C[NH+](CCCN1C(c2cccnc2)/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 379.46
Empirical Formula: C22H25N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.396
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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